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88001-46-1 | 1H-Pyrrolizine-1-carboxylic acid, hexahydro-3-oxo-, ethyl ester, cis-
CAS No: 88001-46-1 Catalog No: AG004H10 MDL No:
Product Description
Catalog Number:
AG004H10
Chemical Name:
1H-Pyrrolizine-1-carboxylic acid, hexahydro-3-oxo-, ethyl ester, cis-
CAS Number:
88001-46-1
Molecular Formula:
C10H15NO3
Molecular Weight:
197.2310
IUPAC Name:
ethyl (1R,8S)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizine-1-carboxylate
InChI:
InChI=1S/C10H15NO3/c1-2-14-10(13)7-6-9(12)11-5-3-4-8(7)11/h7-8H,2-6H2,1H3/t7-,8+/m1/s1
InChI Key:
LZAMGHNQDIVDLV-SFYZADRCSA-N
SMILES:
CCOC(=O)[C@@H]1CC(=O)N2[C@H]1CCC2
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
197.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.234g/mol
Monoisotopic Mass:
197.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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