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15666-91-8 | 1,3-Benzenedicarboxylic acid, bis(2-methyl-2-propenyl) ester (9CI)
CAS No: 15666-91-8 Catalog No: AG001OW4 MDL No:
Product Description
Catalog Number:
AG001OW4
Chemical Name:
1,3-Benzenedicarboxylic acid, bis(2-methyl-2-propenyl) ester (9CI)
CAS Number:
15666-91-8
Molecular Formula:
C16H18O4
Molecular Weight:
274.3117
IUPAC Name:
bis(2-methylprop-2-enyl) benzene-1,3-dicarboxylate
InChI:
InChI=1S/C16H18O4/c1-11(2)9-19-15(17)13-6-5-7-14(8-13)16(18)20-10-12(3)4/h5-8H,1,3,9-10H2,2,4H3
InChI Key:
WUXYABHDDLIPKK-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)C(=O)OCC(=C)C)OCC(=C)C
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.316g/mol
Monoisotopic Mass:
274.121g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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