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90300-42-8 | Ethanone, 1-(6-hydroxy-2,2-dimethyl-2H-1-benzopyran-7-yl)-
CAS No: 90300-42-8 Catalog No: AG006G07 MDL No:
Product Description
Catalog Number:
AG006G07
Chemical Name:
Ethanone, 1-(6-hydroxy-2,2-dimethyl-2H-1-benzopyran-7-yl)-
CAS Number:
90300-42-8
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
IUPAC Name:
1-(6-hydroxy-2,2-dimethylchromen-7-yl)ethanone
InChI:
InChI=1S/C13H14O3/c1-8(14)10-7-12-9(6-11(10)15)4-5-13(2,3)16-12/h4-7,15H,1-3H3
InChI Key:
RVKKHEXXQQCGDR-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc2OC(C)(C)C=Cc2cc1O
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.094g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.252g/mol
Monoisotopic Mass:
218.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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