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90890-88-3 | 1-ISOPENTYLTETRAHYDRO-4(1H)-PYRIDINONE
CAS No: 90890-88-3 Catalog No: AG00GVNQ MDL No:MFCD09027180
Product Description
Catalog Number:
AG00GVNQ
Chemical Name:
1-ISOPENTYLTETRAHYDRO-4(1H)-PYRIDINONE
CAS Number:
90890-88-3
Molecular Formula:
C10H19NO
Molecular Weight:
169.2640
MDL Number:
MFCD09027180
IUPAC Name:
1-(3-methylbutyl)piperidin-4-one
InChI:
InChI=1S/C10H19NO/c1-9(2)3-6-11-7-4-10(12)5-8-11/h9H,3-8H2,1-2H3
InChI Key:
CYAPBSDGKXPORX-UHFFFAOYSA-N
SMILES:
CC(CCN1CCC(=O)CC1)C
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.147g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.268g/mol
Monoisotopic Mass:
169.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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