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20921-41-9 | Carbamic acid, cyclohexyl-, 1-methyl-1-phenyl-2-propynyl ester (9CI)
CAS No: 20921-41-9 Catalog No: AG002K38 MDL No:
Product Description
Catalog Number:
AG002K38
Chemical Name:
Carbamic acid, cyclohexyl-, 1-methyl-1-phenyl-2-propynyl ester (9CI)
CAS Number:
20921-41-9
Molecular Formula:
C17H21NO2
Molecular Weight:
271.3541
IUPAC Name:
2-phenylbut-3-yn-2-yl N-cyclohexylcarbamate
InChI:
InChI=1S/C17H21NO2/c1-3-17(2,14-10-6-4-7-11-14)20-16(19)18-15-12-8-5-9-13-15/h1,4,6-7,10-11,15H,5,8-9,12-13H2,2H3,(H,18,19)
InChI Key:
WLZGMHXRIVMSEG-UHFFFAOYSA-N
SMILES:
C#CC(c1ccccc1)(OC(=O)NC1CCCCC1)C
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.157g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.36g/mol
Monoisotopic Mass:
271.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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