Home Carboxys (3As,7as)-octahydro-1h-indole-2-carboxylic acid

(3As,7as)-octahydro-1h-indole-2-carboxylic acid

CAS No.:
2055118-14-2
Catalog Number:
AG00I3W7
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
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Product Description
Catalog Number:
AG00I3W7
Chemical Name:
(3As,7as)-octahydro-1h-indole-2-carboxylic acid
CAS Number:
2055118-14-2
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
MDL Number:
MFCD12912179
IUPAC Name:
(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid
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?/m1/s1
InChI Key:
CQYBNXGHMBNGCG-KVARREAHSA-N
SMILES:
OC(=O)C1C[C@H]2[C@@H](N1)CCCC2
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
169.11g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
169.224g/mol
Monoisotopic Mass:
169.11g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Properties