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64840-80-8 | 4(1H)-Pyridinone, 2,3-dimethyl-6-pentyl-
CAS No: 64840-80-8 Catalog No: AG00H5QV MDL No:
Product Description
Catalog Number:
AG00H5QV
Chemical Name:
4(1H)-Pyridinone, 2,3-dimethyl-6-pentyl-
CAS Number:
64840-80-8
Molecular Formula:
C12H19NO
Molecular Weight:
193.2854
IUPAC Name:
2,3-dimethyl-6-pentyl-1H-pyridin-4-one
InChI:
InChI=1S/C12H19NO/c1-4-5-6-7-11-8-12(14)9(2)10(3)13-11/h8H,4-7H2,1-3H3,(H,13,14)
InChI Key:
NMSDXBFPARJEIP-UHFFFAOYSA-N
SMILES:
CCCCCc1cc(=O)c(c([nH]1)C)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.147g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.29g/mol
Monoisotopic Mass:
193.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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