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94290-34-3 | 1,2-Cyclohexanedicarboxylic acid, 2-hydroxyethyl2-[(2-methyl-1-oxo-2-propenyl)oxy]ethyl ester
CAS No: 94290-34-3 Catalog No: AG006C81 MDL No:
Product Description
Catalog Number:
AG006C81
Chemical Name:
1,2-Cyclohexanedicarboxylic acid, 2-hydroxyethyl2-[(2-methyl-1-oxo-2-propenyl)oxy]ethyl ester
CAS Number:
94290-34-3
Molecular Formula:
C16H23O7-
Molecular Weight:
327.3496
IUPAC Name:
2-[4-hydroxy-2-(2-methylprop-2-enoyloxy)butoxy]carbonylcyclohexane-1-carboxylate
InChI:
InChI=1S/C16H24O7/c1-10(2)15(20)23-11(7-8-17)9-22-16(21)13-6-4-3-5-12(13)14(18)19/h11-13,17H,1,3-9H2,2H3,(H,18,19)/p-1
InChI Key:
BFUJMOJTDHPXQG-UHFFFAOYSA-M
SMILES:
OCCC(OC(=O)C(=C)C)COC(=O)C1CCCCC1C(=O)[O-]
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.144g/mol
Formal Charge:
-1
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.353g/mol
Monoisotopic Mass:
327.144g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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