6-oxospiro[3.3]heptane-2-carboxylic acid

6-oxospiro[3.3]heptane-2-carboxylic acid

CAS: 889944-57-4

Formula: C8H10O3

SMILES: OC(=O)C1CC2(C1)CC(=O)C2

IUPAC: 6-oxospiro[3.3]heptane-2-carboxylic acid

InChI: InChI=1S/C8H10O3/c9-6-3-8(4-6)1-5(2-8)7(10)11/h5H,1-4H2,(H,10,11)

Composition: C (62.33%), H (6.54%), O (31.13%)

Molar Mass: 154.165

Atom Count: 21

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	154.062994182
Formal Charge	0
FSP3	0.75
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	FGDRQRQOJRZARK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.11
Topological Polar Surface Area	54.37
Polarizability	14.67
Ring Count	2
Rotatable Bond Count	1

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