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87901-84-6 | 5-Chrysenecarboxylic acid, 8-methoxy-, methyl ester
CAS No: 87901-84-6 Catalog No: AG004FH2 MDL No:
Product Description
Catalog Number:
AG004FH2
Chemical Name:
5-Chrysenecarboxylic acid, 8-methoxy-, methyl ester
CAS Number:
87901-84-6
Molecular Formula:
C21H16O3
Molecular Weight:
316.3499
IUPAC Name:
methyl 8-methoxychrysene-5-carboxylate
InChI:
InChI=1S/C21H16O3/c1-23-15-8-10-16-14(11-15)12-19(21(22)24-2)20-17-6-4-3-5-13(17)7-9-18(16)20/h3-12H,1-2H3
InChI Key:
LAFXNCZTULDEDI-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cc(c1c2ccc2c1cccc2)C(=O)OC
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.11g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.356g/mol
Monoisotopic Mass:
316.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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