2-(2,5-Dioxo-2,5-dihydro-1h-pyrrol-1-yl)benzoic acid

HCID 248596
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Basic information

CAS
6957-51-3
Standard SMILES
O=C(O)c1ccccc1N1C(=O)C=CC1=O
InChIKey
AENZGWONVTXLRC-UHFFFAOYSA-N
Molecular formula
C11H7NO4
Average molar mass
217.18 g/mol
Monoisotopic mass
217.0375077

Names & identifiers

Preferred name
2-(2,5-Dioxo-2,5-dihydro-1h-pyrrol-1-yl)benzoic acid
IUPAC
2-(2,5-dioxopyrrol-1-yl)benzoic acid
English name
Benzoic acid,2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-
Molecular formula
C11H7NO4
Molecular weight
217.18

Names & synonyms

2-(2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)benzoic acid6957-51-3maleimidobenzoic acidC11H7NO4NSC65907NCIOpen2_002949SCHEMBL183052SCHEMBL6658450SCHEMBL29364136DTXSID50989619AENZGWONVTXLRC-UHFFFAOYSA-NNSC-65907
Show more names
2-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)benzoic acidBenzoic acid,2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-
AKOS0001422752,5-dioxo-2H-pyrrol-1(5H)-benzoic acid

Database identifiers

CAS
6957-51-3
PubChem CID
248596
DTXSID
DTXSID50989619
Nikkaji
J3.067.108B

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
74.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
16

Chemistry & industry

Suppliers3 total

上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
苏州启航生物科技有限公司18662190603 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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