Basic information
- CAS
856597-79-0- Standard SMILES
O=C(O)C=Cc1cc[nH]c1- InChIKey
GDACOBAFWPGBOL-UHFFFAOYSA-N- Molecular formula
- C7H7NO2
- Average molar mass
- 137.14 g/mol
- Monoisotopic mass
- 137.04767847
Names & identifiers
- Preferred name
- 2-Propenoic acid, 3-(1H-pyrrol-3-yl)-
- IUPAC
- 3-(1H-pyrrol-3-yl)prop-2-enoic acid
- English name
- 2-Propenoic acid, 3-(1H-pyrrol-3-yl)-
- Molecular formula
- C7H7NO2
- Molecular weight
- 137.14
Names & synonyms
2-Propenoic acid, 3-(1H-pyrrol-3-yl)-856597-79-0SCHEMBL2211039DTXSID10342963KDA31057AKOS017407922DB-1824493-(1H-Pyrrol-3-yl)acrylic acid3-(1H-Pyrrol-3-yl)-2-propenoic acid3-(1H-pyrrol-3-yl)prop-2-enoic acid
Database identifiers
- CAS
856597-79-0- PubChem CID
- 586239
- DTXSID
DTXSID10342963
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 154
Chemistry & industry
Suppliers11 total
上海美洛英特化学有限公司15821661757 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
上海珂臻医药科技有限公司021-021-021-31663258 13795219287 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
镇江博润生物医药科技有限公司15862994627 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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