4-Cyclohexene-1,2-dicarboxylic acid, monomethyl ester, (1S,2R)-


Chemical Name: 4-Cyclohexene-1,2-dicarboxylic acid, monomethyl ester, (1S,2R)-
CAS Number: 88335-93-7
Product Number: AG003BIG(AGN-PC-0OLMEX)
Synonyms:
MDL No:
Molecular Formula: C9H12O4
Molecular Weight: 184.1892

Identification/Properties


Properties
MP:
65-67 °C(lit.)
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
184.191g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
184.074g/mol
Monoisotopic Mass:
184.074g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
244
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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