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Home > Nitro Compounds > 114482-42-7
114482-42-7 | 3,4-Chrysenediol, 3,4-dihydro-11-methyl-12-nitro-, trans- (9CI)
CAS No: 114482-42-7 Catalog No: AG000EJ1 MDL No:
Product Description
Catalog Number:
AG000EJ1
Chemical Name:
3,4-Chrysenediol, 3,4-dihydro-11-methyl-12-nitro-, trans- (9CI)
CAS Number:
114482-42-7
Molecular Formula:
C19H15NO4
Molecular Weight:
321.3267
IUPAC Name:
11-methyl-12-nitro-3,4-dihydrochrysene-3,4-diol
InChI:
InChI=1S/C19H15NO4/c1-10-16-12-5-3-2-4-11(12)6-7-13(16)17-14(18(10)20(23)24)8-9-15(21)19(17)22/h2-9,15,19,21-22H,1H3
InChI Key:
RWAXWSHSCJEJOY-UHFFFAOYSA-N
SMILES:
O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1c(c2[N+](=O)[O-])C)cccc3
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.1g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
321.332g/mol
Monoisotopic Mass:
321.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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