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13345-61-4 | Benz[a]anthracene-7-carboxaldehyde,12-methyl-
CAS No: 13345-61-4 Catalog No: AG007NF8 MDL No:
Product Description
Catalog Number:
AG007NF8
Chemical Name:
Benz[a]anthracene-7-carboxaldehyde,12-methyl-
CAS Number:
13345-61-4
Molecular Formula:
C20H14O
Molecular Weight:
270.3246
IUPAC Name:
12-methylbenzo[a]anthracene-7-carbaldehyde
InChI:
InChI=1S/C20H14O/c1-13-15-7-4-5-9-17(15)19(12-21)18-11-10-14-6-2-3-8-16(14)20(13)18/h2-12H,1H3
InChI Key:
YSPPOTFPQWTIAE-UHFFFAOYSA-N
SMILES:
O=Cc1c2ccc3c(c2c(c2c1cccc2)C)cccc3
UNII:
DIP3B0K50N
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.104g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.331g/mol
Monoisotopic Mass:
270.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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