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78996-81-3 | Benz(a)anthracene-10,11-diol, 10,11-dihydro-7-methyl-
CAS No: 78996-81-3 Catalog No: AG005CKP MDL No:
Product Description
Catalog Number:
AG005CKP
Chemical Name:
Benz(a)anthracene-10,11-diol, 10,11-dihydro-7-methyl-
CAS Number:
78996-81-3
Molecular Formula:
C19H16O2
Molecular Weight:
276.3291
IUPAC Name:
7-methyl-10,11-dihydrobenzo[a]anthracene-10,11-diol
InChI:
InChI=1S/C19H16O2/c1-11-13-7-6-12-4-2-3-5-15(12)16(13)10-17-14(11)8-9-18(20)19(17)21/h2-10,18-21H,1H3
InChI Key:
YWNWJGAEMWLZSG-UHFFFAOYSA-N
SMILES:
OC1C=Cc2c(C1O)cc1c(c2C)ccc2c1cccc2
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.115g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.335g/mol
Monoisotopic Mass:
276.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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