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Home Halogens 3-(3-chloro-4-methoxyphenyl)prop-2-enoic acid

3-(3-chloro-4-methoxyphenyl)prop-2-enoic acid

CAS No.:
220353-69-5
Catalog Number:
AG019PNT
Molecular Formula:
C10H9ClO3
Molecular Weight:
212.6297
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Product Description
Catalog Number:
AG019PNT
Chemical Name:
3-(3-chloro-4-methoxyphenyl)prop-2-enoic acid
CAS Number:
220353-69-5
Molecular Formula:
C10H9ClO3
Molecular Weight:
212.6297
MDL Number:
MFCD05739914
IUPAC Name:
(E)-3-(3-chloro-4-methoxyphenyl)prop-2-enoic acid
InChI:
InChI=1S/C10H9ClO3/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6H,1H3,(H,12,13)/b5-3+
InChI Key:
FFQJKQJQLDOHDW-HWKANZROSA-N
SMILES:
COc1ccc(cc1Cl)C=CC(=O)O
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
212.024g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.629g/mol
Monoisotopic Mass:
212.024g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
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
Properties