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18782-15-5 | 2H-1-Benzopyran-2-one, 3,4-dihydro-4,7-dimethyl-
CAS No: 18782-15-5 Catalog No: AG002GIO MDL No:
Product Description
Catalog Number:
AG002GIO
Chemical Name:
2H-1-Benzopyran-2-one, 3,4-dihydro-4,7-dimethyl-
CAS Number:
18782-15-5
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
IUPAC Name:
4,7-dimethyl-3,4-dihydrochromen-2-one
InChI:
InChI=1S/C11H12O2/c1-7-3-4-9-8(2)6-11(12)13-10(9)5-7/h3-5,8H,6H2,1-2H3
InChI Key:
CDFIHXOHLWMULT-UHFFFAOYSA-N
SMILES:
O=C1CC(C)c2c(O1)cc(cc2)C
NSC Number:
108430
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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