Bicyclo(3.3.1)nonan-9-one

HCID 86638

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Basic information

CAS: 10036-09-6
Standard SMILES: O=C1C2CCCC1CCC2
InChIKey: SKTMMSQPXGWCAP-UHFFFAOYSA-N
Molecular formula: C9H14O
Average molar mass: 138.21 g/mol
Monoisotopic mass: 138.10446507

Names & identifiers

Preferred name: Bicyclo(3.3.1)nonan-9-one
IUPAC: bicyclo[3.3.1]nonan-9-one
English name: Bicyclo[3.3.1]nonan-3-one
Molecular formula: C9H14O
Molecular weight: 138.21

Names & synonyms

Bicyclo[3.3.1]nonan-9-one17931-55-4Bicyclo(3.3.1)nonan-9-oneBicyclo[3.3.1]nona-9-oneEINECS 241-868-2DTXSID00939200Bicyclo(3.3.1)nona-9-oneRefChem:119729DTXCID001367706241-868-2InChI=1/C9H14O/c10-9-7-3-1-4-8(9)6-2-5-7/h7-8H,1-6HSKTMMSQPXGWCAP-UHFFFAOYSA-N

Show more names

Bicyclo[3.3.1]nonan-3-one

MFCD00074752SCHEMBL544303bicyclo[3,3,1]nonan-9-oneBicyclo[3.3.1]nonyl-9-oneSCHEMBL14787795bicyclo [3.3.1] nonan-9-oneAKOS015915789AKOS023413743

Database identifiers

CAS: 10036-09-6、17931-55-4
PubChem CID: 86638
DTXSID: DTXSID00939200
EC Number: 241-868-2
Nikkaji: J285B

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 127

Experimental & physicochemical properties

SpringerMaterials PropertiesCoriolis coupling

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.