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88466-51-7 | Hexanedioic acid, 3-(1-methylethenyl)-4-oxo-, 1-ethyl 6-methyl ester
CAS No: 88466-51-7 Catalog No: AG004BU6 MDL No:
Product Description
Catalog Number:
AG004BU6
Chemical Name:
Hexanedioic acid, 3-(1-methylethenyl)-4-oxo-, 1-ethyl 6-methyl ester
CAS Number:
88466-51-7
Molecular Formula:
C12H18O5
Molecular Weight:
242.2683
IUPAC Name:
1-O-ethyl 6-O-methyl 4-oxo-3-prop-1-en-2-ylhexanedioate
InChI:
InChI=1S/C12H18O5/c1-5-17-12(15)6-9(8(2)3)10(13)7-11(14)16-4/h9H,2,5-7H2,1,3-4H3
InChI Key:
XHEVXFGZPPWWSH-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(C(=O)CC(=O)OC)C(=C)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.271g/mol
Monoisotopic Mass:
242.115g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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