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1009093-14-4 | Carbamic acid, N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-phenylethyl]-, 1,1-dimethylethyl ester
CAS No: 1009093-14-4 Catalog No: AG00035V MDL No:
Product Description
Catalog Number:
AG00035V
Chemical Name:
Carbamic acid, N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-phenylethyl]-, 1,1-dimethylethyl ester
CAS Number:
1009093-14-4
Molecular Formula:
C14H21NO4
Molecular Weight:
267.3208
IUPAC Name:
tert-butyl N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]carbamate
InChI:
InChI=1S/C14H21NO4/c1-14(2,3)19-13(18)15-11(9-16)12(17)10-7-5-4-6-8-10/h4-8,11-12,16-17H,9H2,1-3H3,(H,15,18)/t11-,12-/m1/s1
InChI Key:
WEIHMMMBXBQYNT-VXGBXAGGSA-N
SMILES:
OC[C@H]([C@@H](c1ccccc1)O)NC(=O)OC(C)(C)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
267.147g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
267.325g/mol
Monoisotopic Mass:
267.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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