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

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

CAS No.:
127042-68-6
Catalog Number:
AG00IM08
Molecular Formula:
C17H23NO4
Molecular Weight:
305.3688
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Product Description
Catalog Number:
AG00IM08
Chemical Name:
Cyclohexaneacetic acid, a-[[(phenylmethoxy)carbonyl]amino]-, methylester, (aR)-
CAS Number:
127042-68-6
Molecular Formula:
C17H23NO4
Molecular Weight:
305.3688
MDL Number:
MFCD30748138
IUPAC Name:
methyl (2R)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetate
InChI:
InChI=1S/C17H23NO4/c1-21-16(19)15(14-10-6-3-7-11-14)18-17(20)22-12-13-8-4-2-5-9-13/h2,4-5,8-9,14-15H,3,6-7,10-12H2,1H3,(H,18,20)/t15-/m1/s1
InChI Key:
WZKOARRTTBKNDF-OAHLLOKOSA-N
SMILES:
COC(=O)[C@@H](C1CCCCC1)NC(=O)OCc1ccccc1
Properties
Complexity:
360  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
305.163g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
305.374g/mol
Monoisotopic Mass:
305.163g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties