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18795-95-4 | 1,1-Cyclopropanedicarboxylic acid, 2,2-dimethyl-, 1,1-dimethyl ester
CAS No: 18795-95-4 Catalog No: AG002GLH MDL No:
Product Description
Catalog Number:
AG002GLH
Chemical Name:
1,1-Cyclopropanedicarboxylic acid, 2,2-dimethyl-, 1,1-dimethyl ester
CAS Number:
18795-95-4
Molecular Formula:
C9H14O4
Molecular Weight:
186.2051
IUPAC Name:
dimethyl 2,2-dimethylcyclopropane-1,1-dicarboxylate
InChI:
InChI=1S/C9H14O4/c1-8(2)5-9(8,6(10)12-3)7(11)13-4/h5H2,1-4H3
InChI Key:
XZAFBFQLKXHZTO-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CC1(C)C)C(=O)OC
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.089g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.207g/mol
Monoisotopic Mass:
186.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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