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Home > Nitro Compounds > 303997-22-0
303997-22-0 | 2-methyl-3-[2-(3-nitrophenyl)-2-oxoethyl]-1,4-dihydronaphthalene-1,4-dione
CAS No: 303997-22-0 Catalog No: AG00IWDN MDL No:MFCD00140576
Product Description
Catalog Number:
AG00IWDN
Chemical Name:
2-methyl-3-[2-(3-nitrophenyl)-2-oxoethyl]-1,4-dihydronaphthalene-1,4-dione
CAS Number:
303997-22-0
Molecular Formula:
C19H13NO5
Molecular Weight:
335.3102
MDL Number:
MFCD00140576
IUPAC Name:
2-methyl-3-[2-(3-nitrophenyl)-2-oxoethyl]naphthalene-1,4-dione
InChI:
InChI=1S/C19H13NO5/c1-11-16(19(23)15-8-3-2-7-14(15)18(11)22)10-17(21)12-5-4-6-13(9-12)20(24)25/h2-9H,10H2,1H3
InChI Key:
TZGKWYPKVUZODV-UHFFFAOYSA-N
SMILES:
CC1=C(CC(=O)c2cccc(c2)[N+](=O)[O-])C(=O)c2c(C1=O)cccc2
Properties
Complexity:
645
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.079g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.315g/mol
Monoisotopic Mass:
335.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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