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752186-89-3 | 4(1H)-Pyridinone, 3-hydroxy-2-(1-methoxypropyl)-1,6-dimethyl- (9CI)
CAS No: 752186-89-3 Catalog No: AG00GE54 MDL No:
Product Description
Catalog Number:
AG00GE54
Chemical Name:
4(1H)-Pyridinone, 3-hydroxy-2-(1-methoxypropyl)-1,6-dimethyl- (9CI)
CAS Number:
752186-89-3
Molecular Formula:
C11H17NO3
Molecular Weight:
211.2576
IUPAC Name:
3-hydroxy-2-(1-methoxypropyl)-1,6-dimethylpyridin-4-one
InChI:
InChI=1S/C11H17NO3/c1-5-9(15-4)10-11(14)8(13)6-7(2)12(10)3/h6,9,14H,5H2,1-4H3
InChI Key:
FTRAQXHTKWFPJC-UHFFFAOYSA-N
SMILES:
CCC(c1c(O)c(=O)cc(n1C)C)OC
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.261g/mol
Monoisotopic Mass:
211.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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