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1-methylbicyclo[2.2.1]hept-5-en-2-one

1-methylbicyclo[2.2.1]hept-5-en-2-one

CAS: 19740-13-7

Formula: C8H10O

SMILES: CC12CC(CC1=O)C=C2

IUPAC: 1-methylbicyclo[2.2.1]hept-5-en-2-one

InChI: InChI=1/C8H10O/c1-8-3-2-6(5-8)4-7(8)9/h2-3,6H,4-5H2,1H3

Composition: C (78.65%), H (8.25%), O (13.10%)

Molar Mass: 122.167

Atom Count: 19

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 122.073164942
Formal Charge 0
FSP3 0.62
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey CBNJDAUBOROFDY-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 36.58
Topological Polar Surface Area 17.07
Polarizability 13.84
Ring Count 2
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 19740-13-7 $6,000.00$6,000.00
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