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119053-18-8 | Dibenz[a,j]anthracene-3,4-diol, 3,4-dihydro-, (3R,4R)-rel-
CAS No: 119053-18-8 Catalog No: AG000B38 MDL No:
Product Description
Catalog Number:
AG000B38
Chemical Name:
Dibenz[a,j]anthracene-3,4-diol, 3,4-dihydro-, (3R,4R)-rel-
CAS Number:
119053-18-8
Molecular Formula:
C22H16O2
Molecular Weight:
312.3612
IUPAC Name:
pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,10,13,15,17,19,21-decaene-7,8-diol
InChI:
InChI=1S/C22H16O2/c23-21-10-9-17-18(22(21)24)8-7-15-11-14-6-5-13-3-1-2-4-16(13)19(14)12-20(15)17/h1-12,21-24H
InChI Key:
FQBLNMVYPJPBRV-UHFFFAOYSA-N
SMILES:
O[C@H]1[C@H](O)C=Cc2c1ccc1c2cc2c(c1)ccc1c2cccc1
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.115g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.368g/mol
Monoisotopic Mass:
312.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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