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Home > Nitro Compounds > 90417-95-1
90417-95-1 | 3-(2,4-DINITRO-PHENYL)PROPIONIC ACID
CAS No: 90417-95-1 Catalog No: AG00GRPZ MDL No:MFCD01110991
Product Description
Catalog Number:
AG00GRPZ
Chemical Name:
3-(2,4-DINITRO-PHENYL)PROPIONIC ACID
CAS Number:
90417-95-1
Molecular Formula:
C9H8N2O6
Molecular Weight:
240.1696
MDL Number:
MFCD01110991
IUPAC Name:
3-(2,4-dinitrophenyl)propanoic acid
InChI:
InChI=1S/C9H8N2O6/c12-9(13)4-2-6-1-3-7(10(14)15)5-8(6)11(16)17/h1,3,5H,2,4H2,(H,12,13)
InChI Key:
NJGXPGVYYHJEBT-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.038g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.171g/mol
Monoisotopic Mass:
240.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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