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Home > Other Building Blocks > 14017-99-3
14017-99-3 | 4(3H)-Pyrimidinone, 5-[(2-hydroxyphenyl)methyl]-2,6-dimethyl-
CAS No: 14017-99-3 Catalog No: AG001C3F MDL No:
Product Description
Catalog Number:
AG001C3F
Chemical Name:
4(3H)-Pyrimidinone, 5-[(2-hydroxyphenyl)methyl]-2,6-dimethyl-
CAS Number:
14017-99-3
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
IUPAC Name:
5-[(2-hydroxyphenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C13H14N2O2/c1-8-11(13(17)15-9(2)14-8)7-10-5-3-4-6-12(10)16/h3-6,16H,7H2,1-2H3,(H,14,15,17)
InChI Key:
TYJFLFFGSBLJRR-UHFFFAOYSA-N
SMILES:
Cc1nc(C)[nH]c(=O)c1Cc1ccccc1O
NSC Number:
112540
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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