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885044-51-9 | 5-BOC-AMINO-5'-HYDROXY-BIPHENYL-3,3'-DICARBOXYLIC ACID DIMETHYL ESTER
CAS No: 885044-51-9 Catalog No: AG0049D3 MDL No:
Product Description
Catalog Number:
AG0049D3
Chemical Name:
5-BOC-AMINO-5'-HYDROXY-BIPHENYL-3,3'-DICARBOXYLIC ACID DIMETHYL ESTER
CAS Number:
885044-51-9
Molecular Formula:
C21H23NO7
Molecular Weight:
401.4098
IUPAC Name:
3-O-tert-butyl 1-O-methyl 5-(2-amino-5-hydroxy-3-methoxycarbonylphenyl)benzene-1,3-dicarboxylate
InChI:
InChI=1S/C21H23NO7/c1-21(2,3)29-19(25)13-7-11(6-12(8-13)18(24)27-4)15-9-14(23)10-16(17(15)22)20(26)28-5/h6-10,23H,22H2,1-5H3
InChI Key:
WOMKBTNMXZYUNL-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1)c1cc(O)cc(c1N)C(=O)OC)C(=O)OC(C)(C)C
Properties
Complexity:
615
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.147g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
401.415g/mol
Monoisotopic Mass:
401.147g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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