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Home > Nitro Compounds > 765937-81-3
765937-81-3 | (2E)-3-[5-(3-Nitrophenyl)-2-furyl]prop-2-enoic acid
CAS No: 765937-81-3 Catalog No: AG00JLNN MDL No:
Product Description
Catalog Number:
AG00JLNN
Chemical Name:
(2E)-3-[5-(3-Nitrophenyl)-2-furyl]prop-2-enoic acid
CAS Number:
765937-81-3
Molecular Formula:
C13H9NO5
Molecular Weight:
259.2143
IUPAC Name:
3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoic acid
InChI:
InChI=1S/C13H9NO5/c15-13(16)7-5-11-4-6-12(19-11)9-2-1-3-10(8-9)14(17)18/h1-8H,(H,15,16)
InChI Key:
XTMFADOEDNSWOV-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/c1ccc(o1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
1
XLogP3:
2.5
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