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101392-86-3 | 2H-Pyran-2-one, 4-(hydroxymethyl)-3-methyl-
CAS No: 101392-86-3 Catalog No: AG0004DE MDL No:
Product Description
Catalog Number:
AG0004DE
Chemical Name:
2H-Pyran-2-one, 4-(hydroxymethyl)-3-methyl-
CAS Number:
101392-86-3
Molecular Formula:
C7H8O3
Molecular Weight:
140.1366
IUPAC Name:
4-(hydroxymethyl)-3-methylpyran-2-one
InChI:
InChI=1S/C7H8O3/c1-5-6(4-8)2-3-10-7(5)9/h2-3,8H,4H2,1H3
InChI Key:
FTFGBMVVUAFIHU-UHFFFAOYSA-N
SMILES:
OCc1ccoc(=O)c1C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.047g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.138g/mol
Monoisotopic Mass:
140.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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