Home Carboxys (6S,8aR)-3-Oxooctahydroindolizine-6-carboxylic acid

(6S,8aR)-3-Oxooctahydroindolizine-6-carboxylic acid

CAS No.:
1620675-68-4
Catalog Number:
AG00HYPS
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
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Product Description
Catalog Number:
AG00HYPS
Chemical Name:
(6S,8aR)-3-Oxooctahydroindolizine-6-carboxylic acid
CAS Number:
1620675-68-4
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
MDL Number:
MFCD28559196
IUPAC Name:
(6S,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-6-carboxylic acid
InChI:
InChI=1S/C9H13NO3/c11-8-4-3-7-2-1-6(9(12)13)5-10(7)8/h6-7H,1-5H2,(H,12,13)/t6-,7+/m0/s1
InChI Key:
WFQSFUFRBIREPZ-NKWVEPMBSA-N
SMILES:
OC(=O)[C@H]1CC[C@H]2N(C1)C(=O)CC2
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
183.09g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.207g/mol
Monoisotopic Mass:
183.09g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties