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714569-47-8 | 4-Pentenoic acid, 2-[(2-nitrophenyl)amino]-, methyl ester, (2R)-
CAS No: 714569-47-8 Catalog No: AG005HSC MDL No:
Product Description
Catalog Number:
AG005HSC
Chemical Name:
4-Pentenoic acid, 2-[(2-nitrophenyl)amino]-, methyl ester, (2R)-
CAS Number:
714569-47-8
Molecular Formula:
C12H14N2O4
Molecular Weight:
250.2506
IUPAC Name:
methyl (2R)-2-(2-nitroanilino)pent-4-enoate
InChI:
InChI=1S/C12H14N2O4/c1-3-6-10(12(15)18-2)13-9-7-4-5-8-11(9)14(16)17/h3-5,7-8,10,13H,1,6H2,2H3/t10-/m1/s1
InChI Key:
JALCBBSFLYNMGS-SNVBAGLBSA-N
SMILES:
C=CC[C@H](C(=O)OC)Nc1ccccc1[N+](=O)[O-]
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
250.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.254g/mol
Monoisotopic Mass:
250.095g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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