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612-41-9 | 2-Propenoic acid, 3-(nitrophenyl)-
CAS No: 612-41-9 Catalog No: AG00IKHC MDL No:MFCD00007189
Product Description
Catalog Number:
AG00IKHC
Chemical Name:
2-Propenoic acid, 3-(nitrophenyl)-
CAS Number:
612-41-9
MDL Number:
MFCD00007189
IUPAC Name:
(E)-3-(2-nitrophenyl)prop-2-enoic acid
InChI:
InChI=1S/C9H7NO4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H,(H,11,12)/b6-5+
InChI Key:
BBQDLDVSEDAYAA-AATRIKPKSA-N
EC Number:
210-309-4
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
193.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.158g/mol
Monoisotopic Mass:
193.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Synthesis and structure--activity relationships of substituted cinnamic acids and amide analogues: a new class of herbicides. | Journal of agricultural and food chemistry 20090422 |
| 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 |
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