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144540-75-0 | 1H-Indole-2-carboxylic acid, octahydro-, hydrochloride (1:1), (2S,3aR,7aS)-
CAS No: 144540-75-0 Catalog No: AG001JPS MDL No:MFCD09839384
Product Description
Catalog Number:
AG001JPS
Chemical Name:
1H-Indole-2-carboxylic acid, octahydro-, hydrochloride (1:1), (2S,3aR,7aS)-
CAS Number:
144540-75-0
Molecular Formula:
C9H16ClNO2
Molecular Weight:
205.6818
MDL Number:
MFCD09839384
IUPAC Name:
(2S,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C9H15NO2.ClH/c11-9(12)8-5-6-3-1-2-4-7(6)10-8;/h6-8,10H,1-5H2,(H,11,12);1H/t6-,7+,8+;/m1./s1
InChI Key:
PONAUWFRJYNGAC-MWDCIYOWSA-N
SMILES:
OC(=O)[C@@H]1C[C@@H]2[C@@H](N1)CCCC2.Cl
EC Number:
604-421-6
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
205.087g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
205.682g/mol
Monoisotopic Mass:
205.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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