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Home > Nitro Compounds > 80854-59-7
80854-59-7 | 3-(4-nitrophenyl)but-2-enoic acid
CAS No: 80854-59-7 Catalog No: AG01A68I MDL No:MFCD25970301
Product Description
Catalog Number:
AG01A68I
Chemical Name:
3-(4-nitrophenyl)but-2-enoic acid
CAS Number:
80854-59-7
Molecular Formula:
C10H9NO4
Molecular Weight:
207.1828
MDL Number:
MFCD25970301
IUPAC Name:
3-(4-nitrophenyl)but-2-enoic acid
InChI:
InChI=1S/C10H9NO4/c1-7(6-10(12)13)8-2-4-9(5-3-8)11(14)15/h2-6H,1H3,(H,12,13)
InChI Key:
APEDXSVBRQSCED-UHFFFAOYSA-N
SMILES:
OC(=O)C=C(c1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.185g/mol
Monoisotopic Mass:
207.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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