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158750-70-0 | 2H-1-Benzopyran-2-one, 3,4-dihydro-4-hydroxy-3,3-dimethyl-
CAS No: 158750-70-0 Catalog No: AG001QU6 MDL No:
Product Description
Catalog Number:
AG001QU6
Chemical Name:
2H-1-Benzopyran-2-one, 3,4-dihydro-4-hydroxy-3,3-dimethyl-
CAS Number:
158750-70-0
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
IUPAC Name:
4-hydroxy-3,3-dimethyl-4H-chromen-2-one
InChI:
InChI=1S/C11H12O3/c1-11(2)9(12)7-5-3-4-6-8(7)14-10(11)13/h3-6,9,12H,1-2H3
InChI Key:
UCZPKALZHWURFV-UHFFFAOYSA-N
SMILES:
O=C1Oc2ccccc2C(C1(C)C)O
Properties
Complexity:
247
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:
1.5
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