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20939-62-2 | 1,1-Cyclobutanedicarboxylic acid, 3-methyl-, 1,1-diethyl ester
CAS No: 20939-62-2 Catalog No: AG002K7G MDL No:
Product Description
Catalog Number:
AG002K7G
Chemical Name:
1,1-Cyclobutanedicarboxylic acid, 3-methyl-, 1,1-diethyl ester
CAS Number:
20939-62-2
Molecular Formula:
C11H18O4
Molecular Weight:
214.2582
IUPAC Name:
diethyl 3-methylcyclobutane-1,1-dicarboxylate
InChI:
InChI=1S/C11H18O4/c1-4-14-9(12)11(6-8(3)7-11)10(13)15-5-2/h8H,4-7H2,1-3H3
InChI Key:
CLSYQNLJGWLNKH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CC(C1)C)C(=O)OCC
NSC Number:
140252
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
2
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