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180863-55-2 | Benzoic acid, 3-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-, methyl ester
CAS No: 180863-55-2 Catalog No: AG0022EL MDL No:MFCD14583094
Product Description
Catalog Number:
AG0022EL
Chemical Name:
Benzoic acid, 3-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-, methyl ester
CAS Number:
180863-55-2
Molecular Formula:
C14H19NO4
Molecular Weight:
265.3050
MDL Number:
MFCD14583094
IUPAC Name:
methyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate
InChI:
InChI=1S/C14H19NO4/c1-14(2,3)19-13(17)15-9-10-6-5-7-11(8-10)12(16)18-4/h5-8H,9H2,1-4H3,(H,15,17)
InChI Key:
YBEKNOSAAIRRRW-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)CNC(=O)OC(C)(C)C
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.309g/mol
Monoisotopic Mass:
265.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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