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139958-92-2 | 1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-3,7-dimethyl-
CAS No: 139958-92-2 Catalog No: AG001BVJ MDL No:
Product Description
Catalog Number:
AG001BVJ
Chemical Name:
1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-3,7-dimethyl-
CAS Number:
139958-92-2
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
IUPAC Name:
8-hydroxy-3,7-dimethyl-3,4-dihydroisochromen-1-one
InChI:
InChI=1S/C11H12O3/c1-6-3-4-8-5-7(2)14-11(13)9(8)10(6)12/h3-4,7,12H,5H2,1-2H3
InChI Key:
SLYRNFYMGDTQEZ-UHFFFAOYSA-N
SMILES:
CC1OC(=O)c2c(C1)ccc(c2O)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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