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24631-83-2 | 2H-1-Benzopyran-2-one, 4-hydroxy-8-methyl-
CAS No: 24631-83-2 Catalog No: AG002OVX MDL No:MFCD00100848
Product Description
Catalog Number:
AG002OVX
Chemical Name:
2H-1-Benzopyran-2-one, 4-hydroxy-8-methyl-
CAS Number:
24631-83-2
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
MDL Number:
MFCD00100848
IUPAC Name:
4-hydroxy-8-methylchromen-2-one
InChI:
InChI=1S/C10H8O3/c1-6-3-2-4-7-8(11)5-9(12)13-10(6)7/h2-5,11H,1H3
InChI Key:
SWTGXRICOTZSFY-UHFFFAOYSA-N
SMILES:
O=c1cc(O)c2c(o1)c(C)ccc2
NSC Number:
627380
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.171g/mol
Monoisotopic Mass:
176.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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