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84249-62-7 | 3-Chrysenol,5,11-dimethyl-
CAS No: 84249-62-7 Catalog No: AG004XY3 MDL No:
Product Description
Catalog Number:
AG004XY3
Chemical Name:
3-Chrysenol,5,11-dimethyl-
CAS Number:
84249-62-7
Molecular Formula:
C20H16O
Molecular Weight:
272.3404
IUPAC Name:
5,11-dimethylchrysen-3-ol
InChI:
InChI=1S/C20H16O/c1-12-10-15-7-8-16(21)11-18(15)20-13(2)9-14-5-3-4-6-17(14)19(12)20/h3-11,21H,1-2H3
InChI Key:
KWSQHZOXKXWDNI-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)c1c(C)cc3c(c1c(c2)C)cccc3
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.12g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.347g/mol
Monoisotopic Mass:
272.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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