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3999-55-1 | trans-Diethyl cyclopropane-1,2-dicarboxylate
CAS No: 3999-55-1 Catalog No: AG003PHG MDL No:MFCD00198002
Product Description
Catalog Number:
AG003PHG
Chemical Name:
trans-Diethyl cyclopropane-1,2-dicarboxylate
CAS Number:
3999-55-1
Molecular Formula:
C9H14O4
Molecular Weight:
186.2051
MDL Number:
MFCD00198002
IUPAC Name:
diethyl (1R,2R)-cyclopropane-1,2-dicarboxylate
InChI:
InChI=1S/C9H14O4/c1-3-12-8(10)6-5-7(6)9(11)13-4-2/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1
InChI Key:
SXLDHZFJMXLFJU-RNFRBKRXSA-N
SMILES:
CCOC(=O)[C@@H]1C[C@H]1C(=O)OCC
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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