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15773-95-2 | 4H-1-Benzopyran-4-one, 2,3-dihydro-6,8-dimethyl-
CAS No: 15773-95-2 Catalog No: AG001PNX MDL No:MFCD11207562
Product Description
Catalog Number:
AG001PNX
Chemical Name:
4H-1-Benzopyran-4-one, 2,3-dihydro-6,8-dimethyl-
CAS Number:
15773-95-2
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
MDL Number:
MFCD11207562
IUPAC Name:
6,8-dimethyl-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C11H12O2/c1-7-5-8(2)11-9(6-7)10(12)3-4-13-11/h5-6H,3-4H2,1-2H3
InChI Key:
NBHOWUREPUUWOL-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1)C(=O)CCO2
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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