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158807-47-7 | Carbamic acid, N-[(1R)-3-hydroxy-1-phenylpropyl]-, 1,1-dimethylethyl ester
CAS No: 158807-47-7 Catalog No: AG001QWG MDL No:MFCD09261327
Product Description
Catalog Number:
AG001QWG
Chemical Name:
Carbamic acid, N-[(1R)-3-hydroxy-1-phenylpropyl]-, 1,1-dimethylethyl ester
CAS Number:
158807-47-7
Molecular Formula:
C14H21NO3
Molecular Weight:
251.3214
MDL Number:
MFCD09261327
IUPAC Name:
tert-butyl N-[(1R)-3-hydroxy-1-phenylpropyl]carbamate
InChI:
InChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15-12(9-10-16)11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H,15,17)/t12-/m1/s1
InChI Key:
SMEMODSNLZWKBF-GFCCVEGCSA-N
SMILES:
OCC[C@H](c1ccccc1)NC(=O)OC(C)(C)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
251.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.326g/mol
Monoisotopic Mass:
251.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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