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1313282-10-8 | 1H-Indole-2-carboxylic acid, octahydro-2-methyl-, (2S)-
CAS No: 1313282-10-8 Catalog No: AG000VYC MDL No:
Product Description
Catalog Number:
AG000VYC
Chemical Name:
1H-Indole-2-carboxylic acid, octahydro-2-methyl-, (2S)-
CAS Number:
1313282-10-8
Molecular Formula:
C10H17NO2
Molecular Weight:
183.2475
IUPAC Name:
(2S)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
InChI:
InChI=1S/C10H17NO2/c1-10(9(12)13)6-7-4-2-3-5-8(7)11-10/h7-8,11H,2-6H2,1H3,(H,12,13)/t7?,8?,10-/m0/s1
InChI Key:
WBAFZRWAQJBNFG-KTOWXAHTSA-N
SMILES:
OC(=O)[C@]1(C)CC2C(N1)CCCC2
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
183.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.251g/mol
Monoisotopic Mass:
183.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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