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119548-53-7 | Propanedioic acid, 2-(2-butyn-1-yl)-2-(2-propen-1-yl)-, 1,3-diethyl ester
CAS No: 119548-53-7 Catalog No: AG000IXL MDL No:
Product Description
Catalog Number:
AG000IXL
Chemical Name:
Propanedioic acid, 2-(2-butyn-1-yl)-2-(2-propen-1-yl)-, 1,3-diethyl ester
CAS Number:
119548-53-7
Molecular Formula:
C14H20O4
Molecular Weight:
252.3062
IUPAC Name:
diethyl 2-but-1-ynyl-2-prop-1-enylpropanedioate
InChI:
InChI=1S/C14H20O4/c1-5-9-11-14(10-6-2,12(15)17-7-3)13(16)18-8-4/h6,10H,5,7-8H2,1-4H3
InChI Key:
CPXJBDQWLQKYOS-UHFFFAOYSA-N
SMILES:
C=CCC(C(=O)OCC)(C(=O)OCC)CC#CC
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.31g/mol
Monoisotopic Mass:
252.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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