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87494-75-5 | 1,2-Dioxolane-3,5-dione, 4-methyl-4-phenyl-
CAS No: 87494-75-5 Catalog No: AG004I1K MDL No:
Product Description
Catalog Number:
AG004I1K
Chemical Name:
1,2-Dioxolane-3,5-dione, 4-methyl-4-phenyl-
CAS Number:
87494-75-5
Molecular Formula:
C10H8O4
Molecular Weight:
192.1681
IUPAC Name:
4-methyl-4-phenyldioxolane-3,5-dione
InChI:
InChI=1S/C10H8O4/c1-10(7-5-3-2-4-6-7)8(11)13-14-9(10)12/h2-6H,1H3
InChI Key:
TYZPXKUUIJGALF-UHFFFAOYSA-N
SMILES:
O=C1OOC(=O)C1(C)c1ccccc1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.042g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.17g/mol
Monoisotopic Mass:
192.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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