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ANTHRANILIC ACID CINNAMYL ESTER

CAS No.:
87-29-6
Catalog Number:
AG003NWS
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003NWS
Chemical Name:
ANTHRANILIC ACID CINNAMYL ESTER
CAS Number:
87-29-6
MDL Number:
MFCD00053631
IUPAC Name:
[(E)-3-phenylprop-2-enyl] 2-aminobenzoate
InChI:
InChI=1S/C16H15NO2/c17-15-11-5-4-10-14(15)16(18)19-12-6-9-13-7-2-1-3-8-13/h1-11H,12,17H2/b9-6+
InChI Key:
GABQNAFEZZDSCM-RMKNXTFCSA-N
EC Number:
201-738-8
UNII:
LTW6QIC74B
Properties
Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
253.11g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
253.301g/mol
Monoisotopic Mass:
253.11g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Literature
Title Journal
Exocrine pancreatic carcinogenesis and autotaxin expression. PloS one 20120101
Prediction of rodent nongenotoxic carcinogenesis: evaluation of biochemical and tissue changes in rodents following exposure to nine nongenotoxic NTP carcinogens. Environmental health perspectives 20020401
Properties