Home Carboxys (1R,6S)-6-(Methoxycarbonyl)cyclohex-3-enecarboxylic acid

(1R,6S)-6-(Methoxycarbonyl)cyclohex-3-enecarboxylic acid

CAS No.:
88335-93-7
Catalog Number:
AG003BIG
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
500mg
>98.0%(GC)(T)
1 week
United States
$331
- +
Product Description
Catalog Number:
AG003BIG
Chemical Name:
(1R,6S)-6-(Methoxycarbonyl)cyclohex-3-enecarboxylic acid
CAS Number:
88335-93-7
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
MDL Number:
MFCD00075490
IUPAC Name:
(1R,6S)-6-methoxycarbonylcyclohex-3-ene-1-carboxylic acid
InChI:
InChI=1S/C9H12O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-3,6-7H,4-5H2,1H3,(H,10,11)/t6-,7+/m1/s1
InChI Key:
MYYLMIDEMAPSGH-RQJHMYQMSA-N
SMILES:
COC(=O)[C@H]1CC=CC[C@H]1C(=O)O
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
184.074g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.191g/mol
Monoisotopic Mass:
184.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties