Home Carbonyls Cyclohexaneacetic acid,a-[[(phenylmethoxy)carbonyl]amino]-

Cyclohexaneacetic acid,a-[[(phenylmethoxy)carbonyl]amino]-

CAS No.:
93025-71-9
Catalog Number:
AG00GYMD
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
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Product Description
Catalog Number:
AG00GYMD
Chemical Name:
Cyclohexaneacetic acid,a-[[(phenylmethoxy)carbonyl]amino]-
CAS Number:
93025-71-9
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
MDL Number:
MFCD05864601
IUPAC Name:
2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetic acid
InChI:
InChI=1S/C16H21NO4/c18-15(19)14(13-9-5-2-6-10-13)17-16(20)21-11-12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,17,20)(H,18,19)
InChI Key:
CUSYTUPJAYLNFQ-UHFFFAOYSA-N
SMILES:
O=C(NC(C(=O)O)C1CCCCC1)OCc1ccccc1
Properties
Complexity:
346  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.147g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
291.347g/mol
Monoisotopic Mass:
291.147g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties