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Home > Nitro Compounds > 301312-79-8
301312-79-8 | 3-(2-Methyl-4-nitro-phenylcarbamoyl)-acrylic acid
CAS No: 301312-79-8 Catalog No: AG01EURI MDL No:
Product Description
Catalog Number:
AG01EURI
Chemical Name:
3-(2-Methyl-4-nitro-phenylcarbamoyl)-acrylic acid
CAS Number:
301312-79-8
Molecular Formula:
C11H10N2O5
Molecular Weight:
250.2075
IUPAC Name:
4-(2-methyl-4-nitroanilino)-4-oxobut-2-enoic acid
InChI:
InChI=1S/C11H10N2O5/c1-7-6-8(13(17)18)2-3-9(7)12-10(14)4-5-11(15)16/h2-6H,1H3,(H,12,14)(H,15,16)
InChI Key:
QRJLYPZBDPQQEO-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1C)[N+](=O)[O-])/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:
0.9
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