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141311-38-8 | Benzoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-hydroxy-, methyl ester
CAS No: 141311-38-8 Catalog No: AG001G72 MDL No:
Product Description
Catalog Number:
AG001G72
Chemical Name:
Benzoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-hydroxy-, methyl ester
CAS Number:
141311-38-8
Molecular Formula:
C13H17NO5
Molecular Weight:
267.2778
IUPAC Name:
3-O-tert-butyl 1-O-methyl 2-amino-5-hydroxybenzene-1,3-dicarboxylate
InChI:
InChI=1S/C13H17NO5/c1-13(2,3)19-12(17)9-6-7(15)5-8(10(9)14)11(16)18-4/h5-6,15H,14H2,1-4H3
InChI Key:
UXEHLRGJWTWLPE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(NC(=O)OC(C)(C)C)cc(c1)O
Properties
Complexity:
349
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:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.281g/mol
Monoisotopic Mass:
267.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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