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4196-89-8 | 2,2-Dimethylpropane-1,3-diyl dibenzoate
CAS No: 4196-89-8 Catalog No: AG003SYU MDL No:MFCD00020674
Product Description
Catalog Number:
AG003SYU
Chemical Name:
2,2-Dimethylpropane-1,3-diyl dibenzoate
CAS Number:
4196-89-8
Molecular Formula:
C19H20O4
Molecular Weight:
312.3597
MDL Number:
MFCD00020674
IUPAC Name:
(3-benzoyloxy-2,2-dimethylpropyl) benzoate
InChI:
InChI=1S/C19H20O4/c1-19(2,13-22-17(20)15-9-5-3-6-10-15)14-23-18(21)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChI Key:
DYJIIMFHSZKBDY-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(C)C
EC Number:
224-081-9
UNII:
JBP9MR90CQ
NSC Number:
166504
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.136g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.365g/mol
Monoisotopic Mass:
312.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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