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89504-54-1 | 1H-Naphtho[2,1-b]pyran-1-one, 8-methoxy-3-phenyl-
CAS No: 89504-54-1 Catalog No: AG0041F5 MDL No:
Product Description
Catalog Number:
AG0041F5
Chemical Name:
1H-Naphtho[2,1-b]pyran-1-one, 8-methoxy-3-phenyl-
CAS Number:
89504-54-1
Molecular Formula:
C20H14O3
Molecular Weight:
302.3234
IUPAC Name:
8-methoxy-3-phenylbenzo[f]chromen-1-one
InChI:
InChI=1S/C20H14O3/c1-22-15-8-9-16-14(11-15)7-10-18-20(16)17(21)12-19(23-18)13-5-3-2-4-6-13/h2-12H,1H3
InChI Key:
DXAUDCGEIMSCTC-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)ccc1c2c(=O)cc(o1)c1ccccc1
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.094g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.329g/mol
Monoisotopic Mass:
302.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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