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Home > Nitro Compounds > 2044706-98-9
2044706-98-9 | 2-Cyano-3-(4,5-dimethoxy-2-nitrophenyl)propionicAcid
CAS No: 2044706-98-9 Catalog No: AG01DEXC MDL No:MFCD30479680
Product Description
Catalog Number:
AG01DEXC
Chemical Name:
2-Cyano-3-(4,5-dimethoxy-2-nitrophenyl)propionicAcid
CAS Number:
2044706-98-9
MDL Number:
MFCD30479680
IUPAC Name:
2-cyano-3-(4,5-dimethoxy-2-nitrophenyl)propanoic acid
InChI:
InChI=1S/C12H12N2O6/c1-19-10-4-7(3-8(6-13)12(15)16)9(14(17)18)5-11(10)20-2/h4-5,8H,3H2,1-2H3,(H,15,16)
InChI Key:
KAHDSYQTCYXPCG-UHFFFAOYSA-N
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.07g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.236g/mol
Monoisotopic Mass:
280.07g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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