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88334-70-7 | Benz[a]anthracene-12-methanol, 9-hydroxy-7-methyl-
CAS No: 88334-70-7 Catalog No: AG0046PU MDL No:
Product Description
Catalog Number:
AG0046PU
Chemical Name:
Benz[a]anthracene-12-methanol, 9-hydroxy-7-methyl-
CAS Number:
88334-70-7
Molecular Formula:
C20H16O2
Molecular Weight:
288.3398
IUPAC Name:
12-(hydroxymethyl)-7-methylbenzo[a]anthracen-9-ol
InChI:
InChI=1S/C20H16O2/c1-12-15-8-6-13-4-2-3-5-16(13)20(15)19(11-21)17-9-7-14(22)10-18(12)17/h2-10,21-22H,11H2,1H3
InChI Key:
IIPVIAHMLHZEMD-UHFFFAOYSA-N
SMILES:
OCc1c2ccc(cc2c(c2c1c1ccccc1cc2)C)O
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.115g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.346g/mol
Monoisotopic Mass:
288.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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