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Home > Nitro Compounds > 100905-33-7
100905-33-7 | Benzoic acid, 4,5-dimethoxy-2-nitro-, ethyl ester
CAS No: 100905-33-7 Catalog No: AG00035C MDL No:MFCD00015474
Product Description
Catalog Number:
AG00035C
Chemical Name:
Benzoic acid, 4,5-dimethoxy-2-nitro-, ethyl ester
CAS Number:
100905-33-7
Molecular Formula:
C11H13NO6
Molecular Weight:
255.2240
MDL Number:
MFCD00015474
IUPAC Name:
ethyl 4,5-dimethoxy-2-nitrobenzoate
InChI:
InChI=1S/C11H13NO6/c1-4-18-11(13)7-5-9(16-2)10(17-3)6-8(7)12(14)15/h5-6H,4H2,1-3H3
InChI Key:
VNPCXITWHOOQAJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(OC)c(cc1[N+](=O)[O-])OC
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.226g/mol
Monoisotopic Mass:
255.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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