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1256633-22-3 | Benzeneacetic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
CAS No: 1256633-22-3 Catalog No: AG000OA7 MDL No:MFCD18071010
Product Description
Catalog Number:
AG000OA7
Chemical Name:
Benzeneacetic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
CAS Number:
1256633-22-3
Molecular Formula:
C14H19NO4
Molecular Weight:
265.3050
MDL Number:
MFCD18071010
IUPAC Name:
methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetate
InChI:
InChI=1S/C14H19NO4/c1-14(2,3)19-13(17)15-11-7-5-6-10(8-11)9-12(16)18-4/h5-8H,9H2,1-4H3,(H,15,17)
InChI Key:
MKVJRIRAJCZCQI-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1cccc(c1)NC(=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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