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49769-76-8 | Dimethyl 2-cyclohexylmalonate
CAS No: 49769-76-8 Catalog No: AG003PL4 MDL No:MFCD05666206
Product Description
Catalog Number:
AG003PL4
Chemical Name:
Dimethyl 2-cyclohexylmalonate
CAS Number:
49769-76-8
Molecular Formula:
C11H18O4
Molecular Weight:
214.2582
MDL Number:
MFCD05666206
IUPAC Name:
dimethyl 2-cyclohexylpropanedioate
InChI:
InChI=1S/C11H18O4/c1-14-10(12)9(11(13)15-2)8-6-4-3-5-7-8/h8-9H,3-7H2,1-2H3
InChI Key:
CULITIDIVVTWIV-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)OC)C1CCCCC1
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.261g/mol
Monoisotopic Mass:
214.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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