PDB Chemical Component 2C2

Ideal Model

Chemical Description

Name (2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID
Formula C10 H8 O4
Formal charge 0
Molecular weight 192.168 g/mol
Component type NON-POLYMER

Chemical features

Atom count 22
Chiral atom count 1
Chiral atoms C9
Bond count 23
Aromatic bond count 6

Chemical Identifiers

Systematic name (ACDLabs) (2S)-2-hydroxy-2H-chromene-2-carboxylic acid
Systematic name (OpenEye OEToolkits) (2S)-2-hydroxychromene-2-carboxylic acid

Chemical Descriptors

Stereo SMILES (CACTVS) OC(=O)[C@@]1(O)Oc2ccccc2C=C1
SMILES (CACTVS) OC(=O)[C]1(O)Oc2ccccc2C=C1
Stereo SMILES (OpenEye) c1ccc2c(c1)C=C[C@](O2)(C(=O)O)O
InChI descriptor InChI=1/C10H8O4/c11-9(12)10(13)6-5-7-3-1-2-4-8(7)14-10/h1-6,13H,(H,11,12)/t10-/m0/s1/f/h11H
InChIKey descriptor LGYIZQLNYONEFJ-OGJHPINVDM

Status Information

Last modified 2008-10-14
Created 2006-10-26
Release status REL
Processing site RCSB