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5-hydroxy-2,2-dimethyl-3H-1-benzopyran-4-one

5-hydroxy-2,2-dimethyl-3H-1-benzopyran-4-one

CAS: 4236-32-2

Formula: C11H12O3

SMILES: CC1(C)CC(=O)C2=C(O)C=CC=C2O1

IUPAC: 5-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one

InChI: InChI=1S/C11H12O3/c1-11(2)6-8(13)10-7(12)4-3-5-9(10)14-11/h3-5,12H,6H2,1-2H3

Composition: C (68.74%), H (6.29%), O (24.97%)

Molar Mass: 192.214

Atom Count: 26

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 192.078644246
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey POORELMNAOVPQN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.1
Topological Polar Surface Area 46.53
Polarizability 20.15
Ring Count 2
Rotatable Bond Count 0

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