Spiro[5.6]dodecan-3-one

CAT: 0926-FFA06592-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-FFA06592-01Size:50 mg

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CAS Number

130065-92-8

MDL Number

MFCD17013071

Smiles

C1CCCC2 (CC1) CCC (=O) CC2

Molecular Formula

C12H20O

Molecular Weight

180.29 g/mol

Controlled

Chemical Information

Spiro[5.6]dodecan-3-one

CAS Number	130065-92-8
PubChem CID	14836308
IUPAC Name	spiro[5.6]dodecan-3-one
Molecular Formula	C12H20O
Molecular Weight	180.29
XLogP	3.5
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	175

SMILES

C1CCCC2(CC1)CCC(=O)CC2

InChI

InChI=1S/C12H20O/c13-11-5-9-12(10-6-11)7-3-1-2-4-8-12/h1-10H2

InChIKey

KVQVBEZGTFSTFS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 130065-92-8

CID: 14836308

Formula: C12H20O

MW: 180.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.29
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	180.151415257
Monoisotopic Mass	180.151415257
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	175
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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