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101268-55-7 | Propanedioic acid, 2-(2-propen-1-yl)-2-(2-propyn-1-yl)-, 1,3-diethyl ester
CAS No: 101268-55-7 Catalog No: AG00043Q MDL No:
Product Description
Catalog Number:
AG00043Q
Chemical Name:
Propanedioic acid, 2-(2-propen-1-yl)-2-(2-propyn-1-yl)-, 1,3-diethyl ester
CAS Number:
101268-55-7
Molecular Formula:
C13H18O4
Molecular Weight:
238.2796
IUPAC Name:
diethyl 2-prop-2-enyl-2-prop-2-ynylpropanedioate
InChI:
InChI=1S/C13H18O4/c1-5-9-13(10-6-2,11(14)16-7-3)12(15)17-8-4/h1,6H,2,7-10H2,3-4H3
InChI Key:
WTLVSRZNPGZLSM-UHFFFAOYSA-N
SMILES:
C=CCC(C(=O)OCC)(C(=O)OCC)CC#C
Properties
Complexity:
317
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:
2.4
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