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87902-83-8 | Butanedioic acid, (4,4-dimethyl-2-pentynyl)-, diethyl ester
CAS No: 87902-83-8 Catalog No: AG004IIQ MDL No:
Product Description
Catalog Number:
AG004IIQ
Chemical Name:
Butanedioic acid, (4,4-dimethyl-2-pentynyl)-, diethyl ester
CAS Number:
87902-83-8
Molecular Formula:
C15H24O4
Molecular Weight:
268.3487
IUPAC Name:
diethyl 2-(4,4-dimethylpent-2-ynyl)butanedioate
InChI:
InChI=1S/C15H24O4/c1-6-18-13(16)11-12(14(17)19-7-2)9-8-10-15(3,4)5/h12H,6-7,9,11H2,1-5H3
InChI Key:
KCIPLCNSQDZJGL-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(CC(=O)OCC)CC#CC(C)(C)C
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.167g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.353g/mol
Monoisotopic Mass:
268.167g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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