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Home > Nitro Compounds > 20567-38-8
20567-38-8 | 2-Propenoic acid, 3-(4,5-dimethoxy-2-nitrophenyl)-
CAS No: 20567-38-8 Catalog No: AG002AA9 MDL No:MFCD00017017
Product Description
Catalog Number:
AG002AA9
Chemical Name:
2-Propenoic acid, 3-(4,5-dimethoxy-2-nitrophenyl)-
CAS Number:
20567-38-8
Molecular Formula:
C11H11NO6
Molecular Weight:
253.2081
MDL Number:
MFCD00017017
IUPAC Name:
(E)-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoic acid
InChI:
InChI=1S/C11H11NO6/c1-17-9-5-7(3-4-11(13)14)8(12(15)16)6-10(9)18-2/h3-6H,1-2H3,(H,13,14)/b4-3+
InChI Key:
BZIRMMAJZSOLEW-ONEGZZNKSA-N
SMILES:
COc1cc(C=CC(=O)O)c(cc1OC)[N+](=O)[O-]
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
253.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.21g/mol
Monoisotopic Mass:
253.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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