Home Carbonyls 2-{[(tert-butoxy)carbonyl]amino}-2-(2-hydroxyphenyl)acetic acid

2-{[(tert-butoxy)carbonyl]amino}-2-(2-hydroxyphenyl)acetic acid

CAS No.:
55477-47-9
Catalog Number:
AG01C416
Molecular Formula:
C13H17NO5
Molecular Weight:
267.2778
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Product Description
Catalog Number:
AG01C416
Chemical Name:
2-{[(tert-butoxy)carbonyl]amino}-2-(2-hydroxyphenyl)acetic acid
CAS Number:
55477-47-9
Molecular Formula:
C13H17NO5
Molecular Weight:
267.2778
MDL Number:
MFCD09756571
IUPAC Name:
2-(2-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
InChI:
InChI=1S/C13H17NO5/c1-13(2,3)19-12(18)14-10(11(16)17)8-6-4-5-7-9(8)15/h4-7,10,15H,1-3H3,(H,14,18)(H,16,17)
InChI Key:
CBJVTWUVPXQONY-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(c1ccccc1O)C(=O)O
Properties
Complexity:
336  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.111g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
267.281g/mol
Monoisotopic Mass:
267.111g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties