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126926-40-7 | Benzoic acid, 3-[(ethylamino)carbonyl]-, methyl ester
CAS No: 126926-40-7 Catalog No: AG000THM MDL No:MFCD09234740
Product Description
Catalog Number:
AG000THM
Chemical Name:
Benzoic acid, 3-[(ethylamino)carbonyl]-, methyl ester
CAS Number:
126926-40-7
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
MDL Number:
MFCD09234740
IUPAC Name:
methyl 3-(ethylcarbamoyl)benzoate
InChI:
InChI=1S/C11H13NO3/c1-3-12-10(13)8-5-4-6-9(7-8)11(14)15-2/h4-7H,3H2,1-2H3,(H,12,13)
InChI Key:
NQHDZWZUXLGRST-UHFFFAOYSA-N
SMILES:
CCNC(=O)c1cccc(c1)C(=O)OC
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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