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Home > Nitro Compounds > 175278-41-8
175278-41-8 | 2-Propenoic acid, 3-[3-nitro-4-(1-pyrrolidinyl)phenyl]-
CAS No: 175278-41-8 Catalog No: AG0020U5 MDL No:MFCD00173707
Product Description
Catalog Number:
AG0020U5
Chemical Name:
2-Propenoic acid, 3-[3-nitro-4-(1-pyrrolidinyl)phenyl]-
CAS Number:
175278-41-8
Molecular Formula:
C13H14N2O4
Molecular Weight:
262.2613
MDL Number:
MFCD00173707
IUPAC Name:
(E)-3-(3-nitro-4-pyrrolidin-1-ylphenyl)prop-2-enoic acid
InChI:
InChI=1S/C13H14N2O4/c16-13(17)6-4-10-3-5-11(12(9-10)15(18)19)14-7-1-2-8-14/h3-6,9H,1-2,7-8H2,(H,16,17)/b6-4+
InChI Key:
UDLTYRICBOUKIU-GQCTYLIASA-N
SMILES:
OC(=O)C=Cc1ccc(c(c1)[N+](=O)[O-])N1CCCC1
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
262.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.265g/mol
Monoisotopic Mass:
262.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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