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145641-63-0 | 2(3H)-Oxepinone, 4,5-dihydro-7-methyl-4-(1-methylethenyl)-
CAS No: 145641-63-0 Catalog No: AG001D8V MDL No:
Product Description
Catalog Number:
AG001D8V
Chemical Name:
2(3H)-Oxepinone, 4,5-dihydro-7-methyl-4-(1-methylethenyl)-
CAS Number:
145641-63-0
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
IUPAC Name:
7-methyl-4-prop-1-en-2-yl-4,5-dihydro-3H-oxepin-2-one
InChI:
InChI=1S/C10H14O2/c1-7(2)9-5-4-8(3)12-10(11)6-9/h4,9H,1,5-6H2,2-3H3
InChI Key:
QBUFZUDLOMVZAE-UHFFFAOYSA-N
SMILES:
O=C1OC(=CCC(C1)C(=C)C)C
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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