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Home > Nitro Compounds > 121820-76-6
121820-76-6 | Dodecanedioic acid, 1-[(2-nitrophenyl)methyl] ester
CAS No: 121820-76-6 Catalog No: AG00163B MDL No:
Product Description
Catalog Number:
AG00163B
Chemical Name:
Dodecanedioic acid, 1-[(2-nitrophenyl)methyl] ester
CAS Number:
121820-76-6
Molecular Formula:
C19H26NO6-
Molecular Weight:
364.4128
IUPAC Name:
12-[(2-nitrophenyl)methoxy]-12-oxododecanoate
InChI:
InChI=1S/C19H27NO6/c21-18(22)13-7-5-3-1-2-4-6-8-14-19(23)26-15-16-11-9-10-12-17(16)20(24)25/h9-12H,1-8,13-15H2,(H,21,22)/p-1
InChI Key:
IYGKJRLQNMRPCT-UHFFFAOYSA-M
SMILES:
O=C(OCc1ccccc1[N+](=O)[O-])CCCCCCCCCCC(=O)[O-]
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.176g/mol
Formal Charge:
-1
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.418g/mol
Monoisotopic Mass:
364.176g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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