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2498-75-1 | Benz[a]anthracene, 3-methyl-
CAS No: 2498-75-1 Catalog No: AG002Q3I MDL No:
Product Description
Catalog Number:
AG002Q3I
Chemical Name:
Benz[a]anthracene, 3-methyl-
CAS Number:
2498-75-1
Molecular Formula:
C19H14
Molecular Weight:
242.3145
IUPAC Name:
3-methylbenzo[a]anthracene
InChI:
InChI=1S/C19H14/c1-13-6-9-18-16(10-13)7-8-17-11-14-4-2-3-5-15(14)12-19(17)18/h2-12H,1H3
InChI Key:
VYZKVUIQCRWXJH-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)ccc1c2cc2ccccc2c1
NSC Number:
409462
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.321g/mol
Monoisotopic Mass:
242.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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