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157311-42-7 | Benzoic acid, 4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-, ethyl ester
CAS No: 157311-42-7 Catalog No: AG001PDQ MDL No:MFCD10609786
Product Description
Catalog Number:
AG001PDQ
Chemical Name:
Benzoic acid, 4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-, ethyl ester
CAS Number:
157311-42-7
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
MDL Number:
MFCD10609786
IUPAC Name:
ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate
InChI:
InChI=1S/C15H21NO4/c1-5-19-13(17)12-8-6-11(7-9-12)10-16-14(18)20-15(2,3)4/h6-9H,5,10H2,1-4H3,(H,16,18)
InChI Key:
ZHBYJFBKZGWAFC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)CNC(=O)OC(C)(C)C
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.336g/mol
Monoisotopic Mass:
279.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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