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Home > Nitro Compounds > 6281-23-8
6281-23-8 | 3-(5-Nitrofuran-2-yl)acrylic acid
CAS No: 6281-23-8 Catalog No: AG003I5O MDL No:MFCD00143078
Product Description
Catalog Number:
AG003I5O
Chemical Name:
3-(5-Nitrofuran-2-yl)acrylic acid
CAS Number:
6281-23-8
Molecular Formula:
C7H5NO5
Molecular Weight:
183.1183
MDL Number:
MFCD00143078
IUPAC Name:
(E)-3-(5-nitrofuran-2-yl)prop-2-enoic acid
InChI:
InChI=1S/C7H5NO5/c9-7(10)4-2-5-1-3-6(13-5)8(11)12/h1-4H,(H,9,10)/b4-2+
InChI Key:
LWOWNIPZHGWKNR-DUXPYHPUSA-N
SMILES:
OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-]
EC Number:
228-488-2
UNII:
AV0VIF286D
NSC Number:
6460
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
183.017g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.119g/mol
Monoisotopic Mass:
183.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Modulation of mutagenicity of various mutagens by lignin derivatives. | Mutation research 20030303 |
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