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Home > Other Heterocycles > 116369-68-7
116369-68-7 | Spiro[2H-indene-2,2'-oxirane]-1,3-dione, 3'-(phenylmethyl)-
CAS No: 116369-68-7 Catalog No: AG000CBX MDL No:
Product Description
Catalog Number:
AG000CBX
Chemical Name:
Spiro[2H-indene-2,2'-oxirane]-1,3-dione, 3'-(phenylmethyl)-
CAS Number:
116369-68-7
Molecular Formula:
C17H12O3
Molecular Weight:
264.2754
IUPAC Name:
3'-benzylspiro[indene-2,2'-oxirane]-1,3-dione
InChI:
InChI=1S/C17H12O3/c18-15-12-8-4-5-9-13(12)16(19)17(15)14(20-17)10-11-6-2-1-3-7-11/h1-9,14H,10H2
InChI Key:
DXWGNIWKPKCMBX-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)C21OC2Cc1ccccc1
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.079g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.28g/mol
Monoisotopic Mass:
264.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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