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155836-48-9 | Carbamic acid, N-[(1R)-1-(hydroxymethyl)-2,2-diphenylethyl]-, 1,1-dimethylethyl ester
CAS No: 155836-48-9 Catalog No: AG001O9F MDL No:MFCD05865075
Product Description
Catalog Number:
AG001O9F
Chemical Name:
Carbamic acid, N-[(1R)-1-(hydroxymethyl)-2,2-diphenylethyl]-, 1,1-dimethylethyl ester
CAS Number:
155836-48-9
Molecular Formula:
C20H25NO3
Molecular Weight:
327.4174
MDL Number:
MFCD05865075
IUPAC Name:
tert-butyl N-[(2R)-3-hydroxy-1,1-diphenylpropan-2-yl]carbamate
InChI:
InChI=1S/C20H25NO3/c1-20(2,3)24-19(23)21-17(14-22)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17-18,22H,14H2,1-3H3,(H,21,23)/t17-/m0/s1
InChI Key:
OGVCRJDQGBIHAG-KRWDZBQOSA-N
SMILES:
OC[C@@H](C(c1ccccc1)c1ccccc1)NC(=O)OC(C)(C)C
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
327.183g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
327.424g/mol
Monoisotopic Mass:
327.183g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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