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Home > Nitro Compounds > 62806-39-7
62806-39-7 | (E)-3-[5-(4-nitrophenyl)-2-furyl]-2-propenoic acid
CAS No: 62806-39-7 Catalog No: AG00JJZY MDL No:MFCD00695934
Product Description
Catalog Number:
AG00JJZY
Chemical Name:
(E)-3-[5-(4-nitrophenyl)-2-furyl]-2-propenoic acid
CAS Number:
62806-39-7
Molecular Formula:
C13H9NO5
Molecular Weight:
259.2143
MDL Number:
MFCD00695934
IUPAC Name:
(E)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoic acid
InChI:
InChI=1S/C13H9NO5/c15-13(16)8-6-11-5-7-12(19-11)9-1-3-10(4-2-9)14(17)18/h1-8H,(H,15,16)/b8-6+
InChI Key:
OGFLVOQOCHNPDE-SOFGYWHQSA-N
SMILES:
OC(=O)/C=C/c1ccc(o1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
259.048g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.217g/mol
Monoisotopic Mass:
259.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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