Home Carboxys 3-Cyclohexene-1-carboxylic acid, 6-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, (1R,6R)-rel-

3-Cyclohexene-1-carboxylic acid, 6-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, (1R,6R)-rel-

CAS No.:
323196-39-0
Catalog Number:
AG00IL0T
Molecular Formula:
C13H21NO4
Molecular Weight:
255.3101
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$644
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Product Description
Catalog Number:
AG00IL0T
Chemical Name:
3-Cyclohexene-1-carboxylic acid, 6-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, (1R,6R)-rel-
CAS Number:
323196-39-0
Molecular Formula:
C13H21NO4
Molecular Weight:
255.3101
MDL Number:
MFCD28901364
IUPAC Name:
methyl (1R,6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-ene-1-carboxylate
InChI:
InChI=1S/C13H21NO4/c1-13(2,3)18-12(16)14-10-8-6-5-7-9(10)11(15)17-4/h5-6,9-10H,7-8H2,1-4H3,(H,14,16)/t9-,10+/m1/s1
InChI Key:
RZIDCDXFSTUXMB-ZJUUUORDSA-N
SMILES:
COC(=O)[C@@H]1CC=CC[C@H]1NC(=O)OC(C)(C)C
Properties
Complexity:
343  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
255.147g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
255.314g/mol
Monoisotopic Mass:
255.147g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties