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16277-49-9 | Benz[a]anthracene, 4-methoxy-7,12-dimethyl-
CAS No: 16277-49-9 Catalog No: AG001TF7 MDL No:
Product Description
Catalog Number:
AG001TF7
Chemical Name:
Benz[a]anthracene, 4-methoxy-7,12-dimethyl-
CAS Number:
16277-49-9
Molecular Formula:
C21H18O
Molecular Weight:
286.3670
IUPAC Name:
4-methoxy-7,12-dimethylbenzo[a]anthracene
InChI:
InChI=1S/C21H18O/c1-13-15-7-4-5-8-16(15)14(2)21-17(13)11-12-18-19(21)9-6-10-20(18)22-3/h4-12H,1-3H3
InChI Key:
LJLLJQAPUIVZJF-UHFFFAOYSA-N
SMILES:
COc1cccc2c1ccc1c2c(C)c2c(c1C)cccc2
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.136g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.374g/mol
Monoisotopic Mass:
286.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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