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89422-81-1 | 6H-Indeno[1,2-b]oxiren-6-one, 1a,6a-dihydro-1a-(4-methyl-4-pentenyl)-
CAS No: 89422-81-1 Catalog No: AG0044SM MDL No:
Product Description
Catalog Number:
AG0044SM
Chemical Name:
6H-Indeno[1,2-b]oxiren-6-one, 1a,6a-dihydro-1a-(4-methyl-4-pentenyl)-
CAS Number:
89422-81-1
Molecular Formula:
C15H16O2
Molecular Weight:
228.2863
IUPAC Name:
1a-(4-methylpent-4-enyl)-6aH-indeno[1,2-b]oxiren-6-one
InChI:
InChI=1S/C15H16O2/c1-10(2)6-5-9-15-12-8-4-3-7-11(12)13(16)14(15)17-15/h3-4,7-8,14H,1,5-6,9H2,2H3
InChI Key:
SPRIKJPTSISBAQ-UHFFFAOYSA-N
SMILES:
CC(=C)CCCC12OC2C(=O)c2c1cccc2
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.291g/mol
Monoisotopic Mass:
228.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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