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1559-02-0 | 1,1-Cyclopropanedicarboxylic acid, 1,1-diethyl ester
CAS No: 1559-02-0 Catalog No: AG001OBY MDL No:MFCD00001283
Product Description
Catalog Number:
AG001OBY
Chemical Name:
1,1-Cyclopropanedicarboxylic acid, 1,1-diethyl ester
CAS Number:
1559-02-0
Molecular Formula:
C9H14O4
Molecular Weight:
186.2051
MDL Number:
MFCD00001283
IUPAC Name:
diethyl cyclopropane-1,1-dicarboxylate
InChI:
InChI=1S/C9H14O4/c1-3-12-7(10)9(5-6-9)8(11)13-4-2/h3-6H2,1-2H3
InChI Key:
KYYUCZOHNYSLFV-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CC1)C(=O)OCC
EC Number:
216-321-6
NSC Number:
21376
Properties
Complexity:
198
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:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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