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(E)-3-(3H-imidazol-4-yl)prop-2-enoic acid

CAS 7699-35-6C6H6N2O2MW 138.12

(E)-3-(3H-imidazol-4-yl)prop-2-enoic acid (CAS 7699-35-6) — formula C6H6N2O2, molecular weight 138.12; category organic chemicals.

Product Overview

CAS Number7699-35-6
Molecular FormulaC6H6N2O2
Molecular Weight138.12
Melting Point225
LogP0
ApplicationsUses: CIR ingredient: Urocanic Acid, General Manufacturing Information: 2-Propenoic acid, 3-(1H-imidazol-5-yl)-: ACTIVE
CategoryOrganic Chemicals

Applications

Documented applications: Uses: CIR ingredient: Urocanic Acid, General Manufacturing Information: 2-Propenoic acid, 3-(1H-imidazol-5-yl)-: ACTIVE.

Technical Profile

What this product is

(E)-3-(3H-imidazol-4-yl)prop-2-enoic acid is a carbon-based organic compound with CAS registry number 7699-35-6 and molecular formula C6H6N2O2 (molecular weight 138.12), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 7699-35-6

Its molecular formula C6H6N2O2 comprises 6 C, 6 H, 2 N, 2 O atoms.

Also known as: (E)-3-(3H-imidazol-4-yl)prop-2-enoic acid · 顺式?-尿烷酸

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of (E)-3-(3H-imidazol-4-yl)prop-2-enoic acid?

The CAS registry number of (E)-3-(3H-imidazol-4-yl)prop-2-enoic acid is 7699-35-6.

What is the molecular formula and molecular weight of (E)-3-(3H-imidazol-4-yl)prop-2-enoic acid?

Molecular formula C6H6N2O2, molecular weight 138.12.

What other names is (E)-3-(3H-imidazol-4-yl)prop-2-enoic acid known by?

It is also registered under: (E)-3-(3H-imidazol-4-yl)prop-2-enoic acid, 顺式?-尿烷酸.

What are the documented applications of (E)-3-(3H-imidazol-4-yl)prop-2-enoic acid?

Recorded applications: Uses: CIR ingredient: Urocanic Acid, General Manufacturing Information: 2-Propenoic acid, 3-(1H-imidazol-5-yl)-: ACTIVE.

Which category does (E)-3-(3H-imidazol-4-yl)prop-2-enoic acid belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for (E)-3-(3H-imidazol-4-yl)prop-2-enoic acid (CAS 7699-35-6), compiled from public chemistry databases.

Registry identifiers across databases

CAS 号7699-35-6
PubChem CID736715
分子式C6H6N2O2
IUPAC 名称(E)-3-(1H-imidazol-5-yl)prop-2-enoic acid
UNII（FDA）G8D26XJJ3B

Computed descriptors

Molecular Weight138.12
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass138.042927438
Monoisotopic Mass138.042927438
Topological Polar Surface Area66
Heavy Atom Count10

Physicochemical values on record

Melting Point225
Melting Point225 °C
Solubility1500
Solubility1.5 mg/mL at 17 °C
Collision Cross Section121.3 Ų [M-H]-
Collision Cross Section134.8 Ų [M+H]+

Synonyms and trade names

urocanic acid; 104-98-3; Urocaninic acid; (2E)-3-(1H-imidazol-4-yl)prop-2-enoic acid; 3-(1H-Imidazol-4-yl)-2-propenoic acid; 2-Propenoic acid, 3-(1H-imidazol-4-yl)-; G8D26XJJ3B; NSC-66357; 2-Propenoic acid, 3-(1H-imidazol-4-yl)-, (E)-; CHEBI:27248; DTXSID50859181; Acid, Urocanic; Glyoxalinylacrylic Acid; Acid, Glyoxalinylacrylic; RefChem:901492; DTXCID10809662

Regulatory listings held on file

法规与食品接触CIR / INCI: Cosmetic ingredients (Urocanic Acid) -> CIR (Cosmetic Ingredient Review)

What the public record says

顺式?-尿烷酸 · CAS 7699-35-6 · C6H6N2O2. UNII G8D26XJJ3B. Melting Point: 225; Melting Point: 225 °C; Solubility: 1500.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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