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1017781-77-9

1017781-77-9 | Carbamic acid, N-[[4-[2-(4-methylphenyl)acetyl]phenyl]methyl]-, 1,1-dimethylethyl ester

CAS No: 1017781-77-9 Catalog No: AG0005IQ MDL No:MFCD09997773

Product Description

Catalog Number:
AG0005IQ
Chemical Name:
Carbamic acid, N-[[4-[2-(4-methylphenyl)acetyl]phenyl]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1017781-77-9
Molecular Formula:
C21H25NO3
Molecular Weight:
339.4281
MDL Number:
MFCD09997773
IUPAC Name:
tert-butyl N-[[4-[2-(4-methylphenyl)acetyl]phenyl]methyl]carbamate
InChI:
InChI=1S/C21H25NO3/c1-15-5-7-16(8-6-15)13-19(23)18-11-9-17(10-12-18)14-22-20(24)25-21(2,3)4/h5-12H,13-14H2,1-4H3,(H,22,24)
InChI Key:
MXKJAKHBIBJWIT-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1ccc(cc1)C(=O)Cc1ccc(cc1)C

Properties

Complexity:
439  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.183g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
339.435g/mol
Monoisotopic Mass:
339.183g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

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