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149709-58-0 | Carbamic acid, N-[(1R)-2-[1,1'-biphenyl]-4-yl-1-formylethyl]-, 1,1-dimethylethyl ester
CAS No: 149709-58-0 Catalog No: AG001LYI MDL No:
Product Description
Catalog Number:
AG001LYI
Chemical Name:
Carbamic acid, N-[(1R)-2-[1,1'-biphenyl]-4-yl-1-formylethyl]-, 1,1-dimethylethyl ester
CAS Number:
149709-58-0
Molecular Formula:
C20H23NO3
Molecular Weight:
325.4015
IUPAC Name:
tert-butyl N-[(2R)-1-oxo-3-(4-phenylphenyl)propan-2-yl]carbamate
InChI:
InChI=1S/C20H23NO3/c1-20(2,3)24-19(23)21-18(14-22)13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,14,18H,13H2,1-3H3,(H,21,23)/t18-/m1/s1
InChI Key:
OWIZSBUSCSIZSA-GOSISDBHSA-N
SMILES:
O=C[C@@H](Cc1ccc(cc1)c1ccccc1)NC(=O)OC(C)(C)C
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
325.168g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.408g/mol
Monoisotopic Mass:
325.168g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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