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14935-18-3 | 1H,4H-Naphtho[1,8-cd]pyran-1-one, 5,6-dihydro-
CAS No: 14935-18-3 Catalog No: AG001LLQ MDL No:
Product Description
Catalog Number:
AG001LLQ
Chemical Name:
1H,4H-Naphtho[1,8-cd]pyran-1-one, 5,6-dihydro-
CAS Number:
14935-18-3
Molecular Formula:
C12H10O2
Molecular Weight:
186.2066
IUPAC Name:
3-oxatricyclo[7.3.1.05,13]trideca-1(12),4,9(13),10-tetraen-2-one
InChI:
InChI=1S/C12H10O2/c13-12-10-6-2-4-8-3-1-5-9(7-14-12)11(8)10/h2,4,6-7H,1,3,5H2
InChI Key:
HSGWXYJMKXOHSD-UHFFFAOYSA-N
SMILES:
O=c1occ2c3c1cccc3CCC2
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.068g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.21g/mol
Monoisotopic Mass:
186.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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