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101137-71-7 | Carbamic acid, acetyl(2-phenylethyl)-, 1,1-dimethylethyl ester (9CI)
CAS No: 101137-71-7 Catalog No: AG0003TH MDL No:
Product Description
Catalog Number:
AG0003TH
Chemical Name:
Carbamic acid, acetyl(2-phenylethyl)-, 1,1-dimethylethyl ester (9CI)
CAS Number:
101137-71-7
Molecular Formula:
C15H21NO3
Molecular Weight:
263.3321
IUPAC Name:
tert-butyl N-acetyl-N-(2-phenylethyl)carbamate
InChI:
InChI=1S/C15H21NO3/c1-12(17)16(14(18)19-15(2,3)4)11-10-13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3
InChI Key:
HWACZKUOYZZWEZ-UHFFFAOYSA-N
SMILES:
CC(=O)N(C(=O)OC(C)(C)C)CCc1ccccc1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.152g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.337g/mol
Monoisotopic Mass:
263.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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