Home Carbonyls 4-{[(tert-butoxy)carbonyl]amino}-2-hydroxybenzoic acid

4-{[(tert-butoxy)carbonyl]amino}-2-hydroxybenzoic acid

CAS No.:
184033-42-9
Catalog Number:
AG01AKIH
Molecular Formula:
C12H15NO5
Molecular Weight:
253.2512
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Product Description
Catalog Number:
AG01AKIH
Chemical Name:
4-{[(tert-butoxy)carbonyl]amino}-2-hydroxybenzoic acid
CAS Number:
184033-42-9
Molecular Formula:
C12H15NO5
Molecular Weight:
253.2512
MDL Number:
MFCD02682204
IUPAC Name:
2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
InChI:
InChI=1S/C12H15NO5/c1-12(2,3)18-11(17)13-7-4-5-8(10(15)16)9(14)6-7/h4-6,14H,1-3H3,(H,13,17)(H,15,16)
InChI Key:
JFWQHAPICIFSGD-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc(c(c1)O)C(=O)O
Properties
Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.095g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
253.254g/mol
Monoisotopic Mass:
253.095g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties