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139156-56-2 | 1,2-Cyclopropanedicarboxylic acid, 3,3-dimethyl-, 1,2-diethyl ester, (1S,2R)-rel-
CAS No: 139156-56-2 Catalog No: AG001AFG MDL No:
Product Description
Catalog Number:
AG001AFG
Chemical Name:
1,2-Cyclopropanedicarboxylic acid, 3,3-dimethyl-, 1,2-diethyl ester, (1S,2R)-rel-
CAS Number:
139156-56-2
Molecular Formula:
C11H18O4
Molecular Weight:
214.2582
IUPAC Name:
diethyl (1S,2R)-3,3-dimethylcyclopropane-1,2-dicarboxylate
InChI:
InChI=1S/C11H18O4/c1-5-14-9(12)7-8(11(7,3)4)10(13)15-6-2/h7-8H,5-6H2,1-4H3/t7-,8+
InChI Key:
MPRMNWDIYNBXRC-OCAPTIKFSA-N
SMILES:
CCOC(=O)[C@@H]1[C@@H](C1(C)C)C(=O)OCC
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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