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(S)-hydratropic acid

PropertiesImage
MNX_IDMNXM31841 Image of MNXM31841
referencechebi:48527
formulaC9H10O2
global charge0
mol weight150.177
InChIKeyYPGCWEMNNLXISK-ZETCQYMHSA-N
InChIInChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m0/s1
SMILESC[C@H](C(=O)O)C1=CC=CC=C1
MNX internals
InChI (mnx)InChI=1/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m0/s1 Image of MNXM31841
SMILES (mnx)[CH3:1][C@@H:7]([C:8]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)[C:9](=[O:10])[OH:11]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:48527
chebi:48527
YPGCWEMNNLXISK-ZETCQYMHSA-N
(S)-hydratropic acid
(+)-Hydratropasaeure
(+)-hydratropic acid
(2S)-2-phenylpropanoic acid
(S)-2-phenylpropanoic acid
(S)-alpha-methylbenzeneacetic acid

metacyc.compound:CPD-19608
metacycM:CPD-19608
seed.compound:cpd32216
seedM:cpd32216
YPGCWEMNNLXISK-ZETCQYMHSA-M
(2S)-2-phenylpropanoate
(S)-2-phenylpropionate
(S)-2-phenylpropionic acid

seedM:M_cpd32216
secondary/obsolete/fantasy identifier