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158851-29-7 | Carbamic acid, N-[(1R)-1-phenyl-2-propen-1-yl]-, 1,1-dimethylethyl ester
CAS No: 158851-29-7 Catalog No: AG001QYG MDL No:
Product Description
Catalog Number:
AG001QYG
Chemical Name:
Carbamic acid, N-[(1R)-1-phenyl-2-propen-1-yl]-, 1,1-dimethylethyl ester
CAS Number:
158851-29-7
Molecular Formula:
C14H19NO2
Molecular Weight:
233.3062
IUPAC Name:
tert-butyl N-[(1R)-1-phenylprop-2-enyl]carbamate
InChI:
InChI=1S/C14H19NO2/c1-5-12(11-9-7-6-8-10-11)15-13(16)17-14(2,3)4/h5-10,12H,1H2,2-4H3,(H,15,16)/t12-/m1/s1
InChI Key:
MJONRYITNFCZGQ-GFCCVEGCSA-N
SMILES:
C=C[C@H](c1ccccc1)NC(=O)OC(C)(C)C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
233.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.311g/mol
Monoisotopic Mass:
233.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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