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122357-96-4 | Benzoic acid, 4-[(diethylamino)carbonyl]-, methyl ester
CAS No: 122357-96-4 Catalog No: AG001759 MDL No:MFCD09418544
Product Description
Catalog Number:
AG001759
Chemical Name:
Benzoic acid, 4-[(diethylamino)carbonyl]-, methyl ester
CAS Number:
122357-96-4
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD09418544
IUPAC Name:
methyl 4-(diethylcarbamoyl)benzoate
InChI:
InChI=1S/C13H17NO3/c1-4-14(5-2)12(15)10-6-8-11(9-7-10)13(16)17-3/h6-9H,4-5H2,1-3H3
InChI Key:
VIAKIQCYAUHJIQ-UHFFFAOYSA-N
SMILES:
CCN(C(=O)c1ccc(cc1)C(=O)OC)CC
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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