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828913-58-2 | Propanedioic acid, 2-butynyl(3,3-dimethoxypropyl)-, dimethyl ester
CAS No: 828913-58-2 Catalog No: AG00559C MDL No:
Product Description
Catalog Number:
AG00559C
Chemical Name:
Propanedioic acid, 2-butynyl(3,3-dimethoxypropyl)-, dimethyl ester
CAS Number:
828913-58-2
Molecular Formula:
C14H22O6
Molecular Weight:
286.3209
IUPAC Name:
dimethyl 2-but-1-ynyl-2-(3,3-dimethoxypropyl)propanedioate
InChI:
InChI=1S/C14H22O6/c1-6-7-9-14(12(15)19-4,13(16)20-5)10-8-11(17-2)18-3/h11H,6,8,10H2,1-5H3
InChI Key:
GYBIUUGTXQLADT-UHFFFAOYSA-N
SMILES:
COC(CCC(C(=O)OC)(C(=O)OC)C#CCC)OC
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.142g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.324g/mol
Monoisotopic Mass:
286.142g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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