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168034-31-9 | Carbamic acid, N-[(1S,2S)-1-(hydroxymethyl)-2-(phenylmethoxy)propyl]-, 1,1-dimethylethyl ester
CAS No: 168034-31-9 Catalog No: AG001XQV MDL No:MFCD00235949
Product Description
Catalog Number:
AG001XQV
Chemical Name:
Carbamic acid, N-[(1S,2S)-1-(hydroxymethyl)-2-(phenylmethoxy)propyl]-, 1,1-dimethylethyl ester
CAS Number:
168034-31-9
Molecular Formula:
C16H25NO4
Molecular Weight:
295.3740
MDL Number:
MFCD00235949
IUPAC Name:
tert-butyl N-[(2S,3S)-1-hydroxy-3-phenylmethoxybutan-2-yl]carbamate
InChI:
InChI=1S/C16H25NO4/c1-12(20-11-13-8-6-5-7-9-13)14(10-18)17-15(19)21-16(2,3)4/h5-9,12,14,18H,10-11H2,1-4H3,(H,17,19)/t12-,14-/m0/s1
InChI Key:
RXDBGDZAKNELGW-JSGCOSHPSA-N
SMILES:
OC[C@@H]([C@@H](OCc1ccccc1)C)NC(=O)OC(C)(C)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
295.178g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.379g/mol
Monoisotopic Mass:
295.178g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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