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90208-42-7

90208-42-7 | 2(1H)-Pyridinone, 3,4-dihydro-6-methyl-5-(1-oxobutyl)-

CAS No: 90208-42-7 Catalog No: AG00H7CV MDL No:

Product Description

Catalog Number:
AG00H7CV
Chemical Name:
2(1H)-Pyridinone, 3,4-dihydro-6-methyl-5-(1-oxobutyl)-
CAS Number:
90208-42-7
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
IUPAC Name:
5-butanoyl-6-methyl-3,4-dihydro-1H-pyridin-2-one
InChI:
InChI=1S/C10H15NO2/c1-3-4-9(12)8-5-6-10(13)11-7(8)2/h3-6H2,1-2H3,(H,11,13)
InChI Key:
BKLGXTLEDVKOLA-UHFFFAOYSA-N
SMILES:
CC1=C(CCC(=O)N1)C(=O)CCC

Properties

Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.11g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

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