Home Nitros Benzoic acid, 3,4,5-triMethoxy-2-nitro-, ethyl ester

Benzoic acid, 3,4,5-triMethoxy-2-nitro-, ethyl ester

CAS No.:
186603-53-2
Catalog Number:
AG00AUTR
Molecular Formula:
C12H15NO7
Molecular Weight:
285.2500
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Product Description
Catalog Number:
AG00AUTR
Chemical Name:
Benzoic acid, 3,4,5-triMethoxy-2-nitro-, ethyl ester
CAS Number:
186603-53-2
Molecular Formula:
C12H15NO7
Molecular Weight:
285.2500
MDL Number:
MFCD11452061
IUPAC Name:
ethyl 3,4,5-trimethoxy-2-nitrobenzoate
InChI:
InChI=1S/C12H15NO7/c1-5-20-12(14)7-6-8(17-2)10(18-3)11(19-4)9(7)13(15)16/h6H,5H2,1-4H3
InChI Key:
BHXPZZHBPWNKIH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(OC)c(c(c1[N+](=O)[O-])OC)OC
Properties
Complexity:
343  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.085g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.252g/mol
Monoisotopic Mass:
285.085g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties