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158066-11-6 | [1,1'-Biphenyl]-2-carboxylic acid, 2'-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-
CAS No: 158066-11-6 Catalog No: AG001PZ2 MDL No:MFCD04974227
Product Description
Catalog Number:
AG001PZ2
Chemical Name:
[1,1'-Biphenyl]-2-carboxylic acid, 2'-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-
CAS Number:
158066-11-6
Molecular Formula:
C19H21NO4
Molecular Weight:
327.3743
MDL Number:
MFCD04974227
IUPAC Name:
2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]benzoic acid
InChI:
InChI=1S/C19H21NO4/c1-19(2,3)24-18(23)20-12-13-8-4-5-9-14(13)15-10-6-7-11-16(15)17(21)22/h4-11H,12H2,1-3H3,(H,20,23)(H,21,22)
InChI Key:
PEWJDQQVFVOSHC-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1ccccc1c1ccccc1C(=O)O
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.147g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
327.38g/mol
Monoisotopic Mass:
327.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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