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30313-07-6 | 2-Butene-2,2,3-tricarboxylic acid, 3-methyl-, 1,2,4-triethyl ester
CAS No: 30313-07-6 Catalog No: AG002ZNZ MDL No:
Product Description
Catalog Number:
AG002ZNZ
Chemical Name:
2-Butene-2,2,3-tricarboxylic acid, 3-methyl-, 1,2,4-triethyl ester
CAS Number:
30313-07-6
Molecular Formula:
C12H18O6
Molecular Weight:
258.2677
IUPAC Name:
triethyl prop-1-ene-1,1,2-tricarboxylate
InChI:
InChI=1S/C12H18O6/c1-5-16-10(13)8(4)9(11(14)17-6-2)12(15)18-7-3/h5-7H2,1-4H3
InChI Key:
GKPVAGGETYYJEH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=C(C(=O)OCC)C)C(=O)OCC
NSC Number:
126872
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.27g/mol
Monoisotopic Mass:
258.11g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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