Basic information
- CAS
62467-99-6- Standard SMILES
O=C(O)/C=C/C(=O)O.O=C(O)Cc1ccc2nc(C(O)c3ccccc3)[nH]c2c1- InChIKey
DHKIHSKYGXEFEK-WLHGVMLRSA-N- Molecular formula
- C20H18N2O7
- Average molar mass
- 398.4 g/mol
- Monoisotopic mass
- 398.11140092
Names & identifiers
- Preferred name
- 1H-Benzimidazole-5-acetic acid, 2-(hydroxyphenylmethyl)-, (Z)-2-butenedioate (1:1) (salt)
- IUPAC
- (E)-but-2-enedioic acid;2-[2-[hydroxy(phenyl)methyl]-3H-benzimidazol-5-yl]acetic acid
Names & synonyms
62467-99-61H-Benzimidazole-5-acetic acid, 2-(hydroxyphenylmethyl)-, (Z)-2-butenedioate (1:1) (salt)RefChem:10578572-(Hydroxyphenylmethyl)-1H-benzimidazole-5-acetic acid (Z)-2-butenedioate (1:1) (salt){2-[Hydroxy(phenyl)methyl]-1H-benzimidazol-6-yl}acetic acid (2E)-2-butenedioate
Database identifiers
- CAS
62467-99-6- PubChem CID
- 6446554
Properties
Computed structural properties
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 490
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…