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1087-21-4 | Diallyl isophthalate
CAS No: 1087-21-4 Catalog No: AG0034P7 MDL No:MFCD00048174
Product Description
Catalog Number:
AG0034P7
Chemical Name:
Diallyl isophthalate
CAS Number:
1087-21-4
Molecular Formula:
C14H14O4
Molecular Weight:
246.2586
MDL Number:
MFCD00048174
IUPAC Name:
bis(prop-2-enyl) benzene-1,3-dicarboxylate
InChI:
InChI=1S/C14H14O4/c1-3-8-17-13(15)11-6-5-7-12(10-11)14(16)18-9-4-2/h3-7,10H,1-2,8-9H2
InChI Key:
OOORLLSLMPBSPT-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)c1cccc(c1)C(=O)OCC=C
EC Number:
214-122-9
NSC Number:
6098
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.089g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.262g/mol
Monoisotopic Mass:
246.089g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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