Home Carboxys Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylicacid, 2-methyl ester, (1R,2S,3R,4S)-rel-

Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylicacid, 2-methyl ester, (1R,2S,3R,4S)-rel-

CAS No.:
96185-91-0
Catalog Number:
AG00IJSA
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$98
- +
5g
1 week
United States
$234
- +
Product Description
Catalog Number:
AG00IJSA
Chemical Name:
Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylicacid, 2-methyl ester, (1R,2S,3R,4S)-rel-
CAS Number:
96185-91-0
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
MDL Number:
MFCD00167751
IUPAC Name:
(1S,2R,3S,4R)-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
InChI:
InChI=1S/C10H12O4/c1-14-10(13)8-6-3-2-5(4-6)7(8)9(11)12/h2-3,5-8H,4H2,1H3,(H,11,12)/t5-,6+,7-,8+/m1/s1
InChI Key:
JYZKYCYHXBQTCY-CWKFCGSDSA-N
SMILES:
COC(=O)[C@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)O)C2
Properties
Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
196.074g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.202g/mol
Monoisotopic Mass:
196.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties