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1017781-83-7 | Carbamic acid, N-[[4-[2-(4-methoxyphenyl)acetyl]phenyl]methyl]-, 1,1-dimethylethyl ester
CAS No: 1017781-83-7 Catalog No: AG0005IN MDL No:MFCD09997777
Product Description
Catalog Number:
AG0005IN
Chemical Name:
Carbamic acid, N-[[4-[2-(4-methoxyphenyl)acetyl]phenyl]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1017781-83-7
Molecular Formula:
C21H25NO4
Molecular Weight:
355.4275
MDL Number:
MFCD09997777
IUPAC Name:
tert-butyl N-[[4-[2-(4-methoxyphenyl)acetyl]phenyl]methyl]carbamate
InChI:
InChI=1S/C21H25NO4/c1-21(2,3)26-20(24)22-14-16-5-9-17(10-6-16)19(23)13-15-7-11-18(25-4)12-8-15/h5-12H,13-14H2,1-4H3,(H,22,24)
InChI Key:
OOUDJGWDRVLVSA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CC(=O)c1ccc(cc1)CNC(=O)OC(C)(C)C
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.178g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.434g/mol
Monoisotopic Mass:
355.178g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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