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127791-53-1 | 2-Propenoic acid, 3-(3-aminophenyl)-, (2E)-
CAS No: 127791-53-1 Catalog No: AG000XFC MDL No:MFCD00460112
Product Description
Catalog Number:
AG000XFC
Chemical Name:
2-Propenoic acid, 3-(3-aminophenyl)-, (2E)-
CAS Number:
127791-53-1
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD00460112
IUPAC Name:
(E)-3-(3-aminophenyl)prop-2-enoic acid
InChI:
InChI=1S/C9H9NO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,10H2,(H,11,12)/b5-4+
InChI Key:
JNXMJSYJCFTLJB-SNAWJCMRSA-N
SMILES:
OC(=O)/C=C/c1cccc(c1)N
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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 |
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