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119138-95-3 | 4H-1-Benzopyran-4-one, 2,3-dihydro-2-hydroxy-2-methyl-
CAS No: 119138-95-3 Catalog No: AG000I8H MDL No:
Product Description
Catalog Number:
AG000I8H
Chemical Name:
4H-1-Benzopyran-4-one, 2,3-dihydro-2-hydroxy-2-methyl-
CAS Number:
119138-95-3
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
IUPAC Name:
2-hydroxy-2-methyl-3H-chromen-4-one
InChI:
InChI=1S/C10H10O3/c1-10(12)6-8(11)7-4-2-3-5-9(7)13-10/h2-5,12H,6H2,1H3
InChI Key:
PXIGHXIKZDCYLC-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(O)Oc2c1cccc2
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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