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17804-59-0 | Pentanedioic acid, 3,3-dimethyl-, 1,5-diethyl ester
CAS No: 17804-59-0 Catalog No: AG0025QP MDL No:
Product Description
Catalog Number:
AG0025QP
Chemical Name:
Pentanedioic acid, 3,3-dimethyl-, 1,5-diethyl ester
CAS Number:
17804-59-0
Molecular Formula:
C11H20O4
Molecular Weight:
216.2741
IUPAC Name:
diethyl 3,3-dimethylpentanedioate
InChI:
InChI=1S/C11H20O4/c1-5-14-9(12)7-11(3,4)8-10(13)15-6-2/h5-8H2,1-4H3
InChI Key:
WKLBAFKOKJVNMN-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(CC(=O)OCC)(C)C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.277g/mol
Monoisotopic Mass:
216.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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