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Home > Nitro Compounds > 200394-19-0
200394-19-0 | 3-(4-Methyl-3-nitro-phenylcarbamoyl)-acrylic acid
CAS No: 200394-19-0 Catalog No: AG01F9D7 MDL No:
Product Description
Catalog Number:
AG01F9D7
Chemical Name:
3-(4-Methyl-3-nitro-phenylcarbamoyl)-acrylic acid
CAS Number:
200394-19-0
Molecular Formula:
C11H10N2O5
Molecular Weight:
250.2075
IUPAC Name:
4-(4-methyl-3-nitroanilino)-4-oxobut-2-enoic acid
InChI:
InChI=1S/C11H10N2O5/c1-7-2-3-8(6-9(7)13(17)18)12-10(14)4-5-11(15)16/h2-6H,1H3,(H,12,14)(H,15,16)
InChI Key:
POKXHZCYWHLENN-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(c(c1)[N+](=O)[O-])C)/C=C\C(=O)O
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.21g/mol
Monoisotopic Mass:
250.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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