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1575-76-4 | Propanedioic acid, 2-butyl-2-(2-propen-1-yl)-, 1,3-diethyl ester
CAS No: 1575-76-4 Catalog No: AG001PI3 MDL No:
Product Description
Catalog Number:
AG001PI3
Chemical Name:
Propanedioic acid, 2-butyl-2-(2-propen-1-yl)-, 1,3-diethyl ester
CAS Number:
1575-76-4
Molecular Formula:
C14H24O4
Molecular Weight:
256.3380
IUPAC Name:
diethyl 2-butyl-2-prop-2-enylpropanedioate
InChI:
InChI=1S/C14H24O4/c1-5-9-11-14(10-6-2,12(15)17-7-3)13(16)18-8-4/h6H,2,5,7-11H2,1,3-4H3
InChI Key:
RNITVRORKFRQAT-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)OCC)(C(=O)OCC)CC=C
NSC Number:
128928
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.167g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.342g/mol
Monoisotopic Mass:
256.167g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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