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26533-49-3 | 2-Propenoic acid, 2-nitro-3-(phenylamino)-, methyl ester
CAS No: 26533-49-3 Catalog No: AG002TM2 MDL No:
Product Description
Catalog Number:
AG002TM2
Chemical Name:
2-Propenoic acid, 2-nitro-3-(phenylamino)-, methyl ester
CAS Number:
26533-49-3
Molecular Formula:
C10H10N2O4
Molecular Weight:
222.1974
IUPAC Name:
methyl 3-anilino-2-nitroprop-2-enoate
InChI:
InChI=1S/C10H10N2O4/c1-16-10(13)9(12(14)15)7-11-8-5-3-2-4-6-8/h2-7,11H,1H3
InChI Key:
XEPBMOGQWNYCNO-UHFFFAOYSA-N
SMILES:
COC(=O)C(=CNc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.2g/mol
Monoisotopic Mass:
222.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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