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924873-00-7

924873-00-7 | 3-[5-(2-nitrophenyl)thiophen-2-yl]prop-2-enoic acid

CAS No: 924873-00-7 Catalog No: AG019PNQ MDL No:MFCD08444282

Product Description

Catalog Number:
AG019PNQ
Chemical Name:
3-[5-(2-nitrophenyl)thiophen-2-yl]prop-2-enoic acid
CAS Number:
924873-00-7
Molecular Formula:
C13H9NO4S
Molecular Weight:
275.2799
MDL Number:
MFCD08444282
IUPAC Name:
3-[5-(2-nitrophenyl)thiophen-2-yl]prop-2-enoic acid
InChI:
InChI=1S/C13H9NO4S/c15-13(16)8-6-9-5-7-12(19-9)10-3-1-2-4-11(10)14(17)18/h1-8H,(H,15,16)
InChI Key:
YRLXKGPNOMEQDX-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1ccc(s1)c1ccccc1[N+](=O)[O-]

Properties

Complexity:
379  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.025g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
275.278g/mol
Monoisotopic Mass:
275.025g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.1  

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