Home Carboxys Cis-dimethyl cyclohexane-1,4-dicarboxylate

Cis-dimethyl cyclohexane-1,4-dicarboxylate

CAS No.:
3399-21-1
Catalog Number:
AG00C7CO
Molecular Formula:
C10H16O4
Molecular Weight:
200.2316
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Product Description
Catalog Number:
AG00C7CO
Chemical Name:
Cis-dimethyl cyclohexane-1,4-dicarboxylate
CAS Number:
3399-21-1
Molecular Formula:
C10H16O4
Molecular Weight:
200.2316
MDL Number:
MFCD00216473
IUPAC Name:
dimethyl cyclohexane-1,4-dicarboxylate
InChI:
InChI=1S/C10H16O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h7-8H,3-6H2,1-2H3
InChI Key:
LNGAGQAGYITKCW-UHFFFAOYSA-N
SMILES:
COC(=O)[C@@H]1CC[C@@H](CC1)C(=O)OC
NSC Number:
76564
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.105g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.234g/mol
Monoisotopic Mass:
200.105g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties