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146967-52-4 | 1,8-Naphthyridin-2(1H)-one, 3-methyl-1-(3-methylbutyl)-
CAS No: 146967-52-4 Catalog No: AG001EH3 MDL No:
Product Description
Catalog Number:
AG001EH3
Chemical Name:
1,8-Naphthyridin-2(1H)-one, 3-methyl-1-(3-methylbutyl)-
CAS Number:
146967-52-4
Molecular Formula:
C14H18N2O
Molecular Weight:
230.3055
IUPAC Name:
3-methyl-1-(3-methylbutyl)-1,8-naphthyridin-2-one
InChI:
InChI=1S/C14H18N2O/c1-10(2)6-8-16-13-12(5-4-7-15-13)9-11(3)14(16)17/h4-5,7,9-10H,6,8H2,1-3H3
InChI Key:
LYEKNWXOMLLNEI-UHFFFAOYSA-N
SMILES:
CC(CCn1c(=O)c(C)cc2c1nccc2)C
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.311g/mol
Monoisotopic Mass:
230.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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