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138779-66-5 | 2H-Naphtho[1,2-b]pyran-2-one, 3,4-dihydro-3,3-dimethyl-
CAS No: 138779-66-5 Catalog No: AG0019JB MDL No:
Product Description
Catalog Number:
AG0019JB
Chemical Name:
2H-Naphtho[1,2-b]pyran-2-one, 3,4-dihydro-3,3-dimethyl-
CAS Number:
138779-66-5
Molecular Formula:
C15H14O2
Molecular Weight:
226.2705
IUPAC Name:
3,3-dimethyl-4H-benzo[h]chromen-2-one
InChI:
InChI=1S/C15H14O2/c1-15(2)9-11-8-7-10-5-3-4-6-12(10)13(11)17-14(15)16/h3-8H,9H2,1-2H3
InChI Key:
OKHYTBYHRRRAHU-UHFFFAOYSA-N
SMILES:
O=C1Oc2c(CC1(C)C)ccc1c2cccc1
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.099g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.275g/mol
Monoisotopic Mass:
226.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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