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88877-40-1 | 2(5H)-Furanone, 5-hydroxy-5-methyl-3-(4-methylphenyl)-
CAS No: 88877-40-1 Catalog No: AG0049JQ MDL No:
Product Description
Catalog Number:
AG0049JQ
Chemical Name:
2(5H)-Furanone, 5-hydroxy-5-methyl-3-(4-methylphenyl)-
CAS Number:
88877-40-1
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
IUPAC Name:
5-hydroxy-5-methyl-3-(4-methylphenyl)furan-2-one
InChI:
InChI=1S/C12H12O3/c1-8-3-5-9(6-4-8)10-7-12(2,14)15-11(10)13/h3-7,14H,1-2H3
InChI Key:
XMXXUVXHRORCMS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1=CC(OC1=O)(C)O
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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