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88579-84-4 | Acetic acid, [3-(acetyloxy)-2,2-dimethylcyclopentylidene]-, methyl ester
CAS No: 88579-84-4 Catalog No: AG004DIH MDL No:
Product Description
Catalog Number:
AG004DIH
Chemical Name:
Acetic acid, [3-(acetyloxy)-2,2-dimethylcyclopentylidene]-, methyl ester
CAS Number:
88579-84-4
Molecular Formula:
C12H18O4
Molecular Weight:
226.2689
IUPAC Name:
methyl 2-(3-acetyloxy-2,2-dimethylcyclopentylidene)acetate
InChI:
InChI=1S/C12H18O4/c1-8(13)16-10-6-5-9(12(10,2)3)7-11(14)15-4/h7,10H,5-6H2,1-4H3
InChI Key:
MYEJLHSHILPONX-UHFFFAOYSA-N
SMILES:
COC(=O)C=C1CCC(C1(C)C)OC(=O)C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.272g/mol
Monoisotopic Mass:
226.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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