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87875-55-6 | 5H-1-Benzopyran-5-one, 2,3,4,6,7,8-hexahydro-7,7-dimethyl-
CAS No: 87875-55-6 Catalog No: AG004E7Q MDL No:
Product Description
Catalog Number:
AG004E7Q
Chemical Name:
5H-1-Benzopyran-5-one, 2,3,4,6,7,8-hexahydro-7,7-dimethyl-
CAS Number:
87875-55-6
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
IUPAC Name:
7,7-dimethyl-3,4,6,8-tetrahydro-2H-chromen-5-one
InChI:
InChI=1S/C11H16O2/c1-11(2)6-9(12)8-4-3-5-13-10(8)7-11/h3-7H2,1-2H3
InChI Key:
YLWJOZDYVRSGIR-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)CC2=C1CCCO2
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.247g/mol
Monoisotopic Mass:
180.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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