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113704-40-8 | Propanedioic acid, 2-(4-penten-1-yl)-2-(2-propyn-1-yl)-, 1,3-dimethyl ester
CAS No: 113704-40-8 Catalog No: AG0009EH MDL No:
Product Description
Catalog Number:
AG0009EH
Chemical Name:
Propanedioic acid, 2-(4-penten-1-yl)-2-(2-propyn-1-yl)-, 1,3-dimethyl ester
CAS Number:
113704-40-8
Molecular Formula:
C13H18O4
Molecular Weight:
238.2796
IUPAC Name:
dimethyl 2-pent-4-enyl-2-prop-1-ynylpropanedioate
InChI:
InChI=1S/C13H18O4/c1-5-7-8-10-13(9-6-2,11(14)16-3)12(15)17-4/h5H,1,7-8,10H2,2-4H3
InChI Key:
DBGTWQQAGHPEHY-UHFFFAOYSA-N
SMILES:
C=CCCCC(C(=O)OC)(C(=O)OC)CC#C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.283g/mol
Monoisotopic Mass:
238.121g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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