Synonyms
1H-Indole-2-carboxylic acid, octahydro-, (2S,3aS,7aS)-; SC-16113; CQYBNXGHMBNGCG-FXQIFTODSA-N; TL8005423; ACT02571; RTR-025502; (2S,3aS,7aS)-Octahydro-1H-indolium-2-carboxylate; I14-8461; AC1OLREW; A840000;
IUPAC Name
(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid;
Molecular Weight
169.224g/mol
Molecular Formula
C9H15NO2;
InChI
InChI=1S/C9H15NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h6-8,10H,1-5H2,(H,11,12)/t6-,7-,8-/m0/s1;
InChI Key
CQYBNXGHMBNGCG-FXQIFTODSA-N;
Storage
Store at 0°C
Complexity
193
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
3
EC Number
617-180-7
Exact Mass
169.11g/mol
H-Bond Acceptor
3
H-Bond Donor
2
Heavy Atom Count
12
Monoisotopic Mass
169.11g/mol
Rotatable Bond Count
1
Topological Polar Surface Area
49.3A^2
UNII
9ID44U804I
