bicyclo[2.2.1]hept-5-en-2-one

bicyclo[2.2.1]hept-5-en-2-one

CAS: 694-98-4

Formula: C7H8O

SMILES: O=C1CC2CC1C=C2

IUPAC: bicyclo[2.2.1]hept-5-en-2-one

InChI: InChI=1/C7H8O/c8-7-4-5-1-2-6(7)3-5/h1-2,5-6H,3-4H2

Composition: C (77.75%), H (7.46%), O (14.79%)

Molar Mass: 108.14

Atom Count: 16

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	108.057514878
Formal Charge	0
FSP3	0.57
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	HUQXEIFQYCVOPD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	32.08
Topological Polar Surface Area	17.07
Polarizability	11.99
Ring Count	2
Rotatable Bond Count	0

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