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132114-55-7 | 1H-Pyrrolizine-5-carboxylic acid, 2,3-dihydro-3-oxo-
CAS No: 132114-55-7 Catalog No: AG001095 MDL No:
Product Description
Catalog Number:
AG001095
Chemical Name:
1H-Pyrrolizine-5-carboxylic acid, 2,3-dihydro-3-oxo-
CAS Number:
132114-55-7
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
IUPAC Name:
5-oxo-6,7-dihydropyrrolizine-3-carboxylic acid
InChI:
InChI=1S/C8H7NO3/c10-7-4-2-5-1-3-6(8(11)12)9(5)7/h1,3H,2,4H2,(H,11,12)
InChI Key:
MDBSJAPHCHDMCM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2n1C(=O)CC2
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.148g/mol
Monoisotopic Mass:
165.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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