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127087-62-1 | Carbamic acid, N-(3-hydroxy-2-phenylpropyl)-, 1,1-dimethylethyl ester
CAS No: 127087-62-1 Catalog No: AG000WNC MDL No:
Product Description
Catalog Number:
AG000WNC
Chemical Name:
Carbamic acid, N-(3-hydroxy-2-phenylpropyl)-, 1,1-dimethylethyl ester
CAS Number:
127087-62-1
Molecular Formula:
C14H21NO3
Molecular Weight:
251.3214
IUPAC Name:
tert-butyl N-(3-hydroxy-2-phenylpropyl)carbamate
InChI:
InChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15-9-12(10-16)11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H,15,17)
InChI Key:
GVWMKFBBAJMCBC-UHFFFAOYSA-N
SMILES:
OCC(c1ccccc1)CNC(=O)OC(C)(C)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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