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138371-46-7 | Carbamic acid, (1-benzoylpropyl)-, 1,1-dimethylethyl ester (9CI)
CAS No: 138371-46-7 Catalog No: AG0018O1 MDL No:MFCD11506038
Product Description
Catalog Number:
AG0018O1
Chemical Name:
Carbamic acid, (1-benzoylpropyl)-, 1,1-dimethylethyl ester (9CI)
CAS Number:
138371-46-7
Molecular Formula:
C15H21NO3
Molecular Weight:
263.3321
MDL Number:
MFCD11506038
IUPAC Name:
tert-butyl N-(1-oxo-1-phenylbutan-2-yl)carbamate
InChI:
InChI=1S/C15H21NO3/c1-5-12(16-14(18)19-15(2,3)4)13(17)11-9-7-6-8-10-11/h6-10,12H,5H2,1-4H3,(H,16,18)
InChI Key:
CAPBNYWPYZGVGC-UHFFFAOYSA-N
SMILES:
CCC(C(=O)c1ccccc1)NC(=O)OC(C)(C)C
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:
1
Isotope Atom Count:
0
Molecular Weight:
263.337g/mol
Monoisotopic Mass:
263.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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