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Home > Nitro Compounds > 100193-44-0
100193-44-0 | 2-(4,5-Dimethoxy-2-nitrophenyl)succinic acid
CAS No: 100193-44-0 Catalog No: AG00H96K MDL No:MFCD05259328
Product Description
Catalog Number:
AG00H96K
Chemical Name:
2-(4,5-Dimethoxy-2-nitrophenyl)succinic acid
CAS Number:
100193-44-0
Molecular Formula:
C12H13NO8
Molecular Weight:
299.2335
MDL Number:
MFCD05259328
IUPAC Name:
2-(4,5-dimethoxy-2-nitrophenyl)butanedioic acid
InChI:
InChI=1S/C12H13NO8/c1-20-9-3-6(7(12(16)17)4-11(14)15)8(13(18)19)5-10(9)21-2/h3,5,7H,4H2,1-2H3,(H,14,15)(H,16,17)
InChI Key:
HFPBTJCGXNRHNB-UHFFFAOYSA-N
SMILES:
COc1cc(C(C(=O)O)CC(=O)O)c(cc1OC)[N+](=O)[O-]
NSC Number:
10081
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.235g/mol
Monoisotopic Mass:
299.064g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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