Basic information
- CAS
23713-86-2- Standard SMILES
O=C(O)/C=C/c1cccc(/C=C/C(=O)O)c1- InChIKey
KRXUBZPHAPGHPE-YDFGWWAZSA-N- Molecular formula
- C12H10O4
- Average molar mass
- 218.2 g/mol
- Monoisotopic mass
- 218.0579088
Names & identifiers
- Preferred name
- (E)-3-[3-[(E)-2-carboxyethenyl]phenyl]prop-2-enoic acid
- IUPAC
- (E)-3-[3-[(E)-2-carboxyethenyl]phenyl]prop-2-enoic acid
- English name
- 3-[3-(2-Carboxy-vinyl)-phenyl]-acrylic acid
- Molecular formula
- C12H10O4
- Molecular weight
- 218.21
Names & synonyms
TC AQP1 123713-86-2TC-AQP1-13-[3-(2-CARBOXYETH-1-EN-1-YL)PHENYL]PROP-2-ENOIC ACID(2E)-3-{3-[(1E)-2-CARBOXYETH-1-EN-1-YL]PHENYL}PROP-2-ENOIC ACID(E)-3-[3-[(E)-2-carboxyethenyl]phenyl]prop-2-enoic acid(2E,2'E)-3,3'-(1,3-Phenylene)diacrylic acid3,3'-(1,3-Phenylene)bis(2-propenoic acid)MFCD00021776CVPASCHEMBL69146GTPL13041
Show more names
3-[3-(2-Carboxy-vinyl)-phenyl]-acrylic acid2-Propenoic acid, 3,3'-(1,3-phenylene)bis-, (2E,2'E)-
DTXSID301228298GLXC-05998CCG-5776AKOS004904724AKOS040746395compound 1 [PMID: 23113556]TS-08403BIM-0016783.P001
Database identifiers
- CAS
23713-86-2- PubChem CID
- 794091
- DTXSID
DTXSID301228298- Nikkaji
- J2.728.593G、J802.839G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
上海雪荣化学科技有限公司18201727566 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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