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16657-04-8 | Pentanedioic acid, 2-ethylidene-3-methyl-, 1,5-dimethyl ester, (2E)-
CAS No: 16657-04-8 Catalog No: AG001WTP MDL No:
Product Description
Catalog Number:
AG001WTP
Chemical Name:
Pentanedioic acid, 2-ethylidene-3-methyl-, 1,5-dimethyl ester, (2E)-
CAS Number:
16657-04-8
Molecular Formula:
C10H16O4
Molecular Weight:
200.2316
IUPAC Name:
dimethyl 2-ethylidene-3-methylpentanedioate
InChI:
InChI=1S/C10H16O4/c1-5-8(10(12)14-4)7(2)6-9(11)13-3/h5,7H,6H2,1-4H3
InChI Key:
OGVTZHQTULAOKG-UHFFFAOYSA-N
SMILES:
COC(=O)CC(/C(=C\C)/C(=O)OC)C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.234g/mol
Monoisotopic Mass:
200.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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