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1190890-51-7 | Carbamic acid, N-(trans-4-phenylcyclohexyl)-, 1,1-dimethylethyl ester
CAS No: 1190890-51-7 Catalog No: AG000I5T MDL No:
Product Description
Catalog Number:
AG000I5T
Chemical Name:
Carbamic acid, N-(trans-4-phenylcyclohexyl)-, 1,1-dimethylethyl ester
CAS Number:
1190890-51-7
Molecular Formula:
C17H25NO2
Molecular Weight:
275.3859
IUPAC Name:
tert-butyl N-(4-phenylcyclohexyl)carbamate
InChI:
InChI=1S/C17H25NO2/c1-17(2,3)20-16(19)18-15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3,(H,18,19)
InChI Key:
ZXSJIEMXLZAPCW-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H]1CC[C@H](CC1)c1ccccc1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.189g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.392g/mol
Monoisotopic Mass:
275.189g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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