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14372-26-0 | Benzoic acid, 4-[(cyclopropylcarbonyl)amino]-, ethyl ester
CAS No: 14372-26-0 Catalog No: AG001I9M MDL No:
Product Description
Catalog Number:
AG001I9M
Chemical Name:
Benzoic acid, 4-[(cyclopropylcarbonyl)amino]-, ethyl ester
CAS Number:
14372-26-0
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
IUPAC Name:
ethyl 4-(cyclopropanecarbonylamino)benzoate
InChI:
InChI=1S/C13H15NO3/c1-2-17-13(16)10-5-7-11(8-6-10)14-12(15)9-3-4-9/h5-9H,2-4H2,1H3,(H,14,15)
InChI Key:
FFEJMKMYJLKOID-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)NC(=O)C1CC1
NSC Number:
213648
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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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