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1111737-56-4 | 2-((tert-Butoxycarbonyl)amino)-2-(4-cyanophenyl)acetic acid
CAS No: 1111737-56-4 Catalog No: AG003AAI MDL No:MFCD09026218
Product Description
Catalog Number:
AG003AAI
Chemical Name:
2-((tert-Butoxycarbonyl)amino)-2-(4-cyanophenyl)acetic acid
CAS Number:
1111737-56-4
Molecular Formula:
C14H16N2O4
Molecular Weight:
276.2878
MDL Number:
MFCD09026218
IUPAC Name:
2-(4-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
InChI:
InChI=1S/C14H16N2O4/c1-14(2,3)20-13(19)16-11(12(17)18)10-6-4-9(8-15)5-7-10/h4-7,11H,1-3H3,(H,16,19)(H,17,18)
InChI Key:
LHQRGJCTILOATO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(C(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.292g/mol
Monoisotopic Mass:
276.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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