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115560-63-9 | 9H-Pyreno[1,2-b]pyran-9-one, 8-methyl-
CAS No: 115560-63-9 Catalog No: AG000G67 MDL No:
Product Description
Catalog Number:
AG000G67
Chemical Name:
9H-Pyreno[1,2-b]pyran-9-one, 8-methyl-
CAS Number:
115560-63-9
Molecular Formula:
C20H12O2
Molecular Weight:
284.3081
IUPAC Name:
8-methylpyreno[1,2-b]pyran-9-one
InChI:
InChI=1S/C20H12O2/c1-11-9-15-10-14-6-5-12-3-2-4-13-7-8-16(18(14)17(12)13)19(15)22-20(11)21/h2-10H,1H3
InChI Key:
WKJZTIANXYCMHV-UHFFFAOYSA-N
SMILES:
Cc1cc2cc3ccc4c5c3c(c2oc1=O)ccc5ccc4
NSC Number:
624115
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.084g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.314g/mol
Monoisotopic Mass:
284.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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