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113831-32-6 | 1H-Pyrrolizine-7-carboxylic acid, 2,3,5,6-tetrahydro-3-oxo-
CAS No: 113831-32-6 Catalog No: AG0009UI MDL No:
Product Description
Catalog Number:
AG0009UI
Chemical Name:
1H-Pyrrolizine-7-carboxylic acid, 2,3,5,6-tetrahydro-3-oxo-
CAS Number:
113831-32-6
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
IUPAC Name:
5-oxo-2,3,6,7-tetrahydropyrrolizine-1-carboxylic acid
InChI:
InChI=1S/C8H9NO3/c10-7-2-1-6-5(8(11)12)3-4-9(6)7/h1-4H2,(H,11,12)
InChI Key:
XIXYWIQHJUYNOS-UHFFFAOYSA-N
SMILES:
O=C1CCC2=C(CCN12)C(=O)O
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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