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88001-39-2 | 3H-Pyrrolizin-3-one, 1-acetylhexahydro-
CAS No: 88001-39-2 Catalog No: AG004NY3 MDL No:
Product Description
Catalog Number:
AG004NY3
Chemical Name:
3H-Pyrrolizin-3-one, 1-acetylhexahydro-
CAS Number:
88001-39-2
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
IUPAC Name:
1-acetyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
InChI:
InChI=1S/C9H13NO2/c1-6(11)7-5-9(12)10-4-2-3-8(7)10/h7-8H,2-5H2,1H3
InChI Key:
RFJMDICAYIMQKG-UHFFFAOYSA-N
SMILES:
CC(=O)C1CC(=O)N2C1CCC2
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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