3-Thujopsanone

Compound Structure:

Synonyms:

3-Thujopsanone;25966-79-4;Cyclopropa[d]naphthalen-3(1H)-one, octahydro-2,4a,8,8-tetramethyl-, (1aS,2S,4aS,8aS)-; (-)-Thujopsanone;EINECS 247-381-1;SCHEMBL20024360

Compound ID:

NMPC-378

PubChem ID:

13893399

Molecular Formula:

C15H24O

Canonical SMILES:

CC1C2CC23C(CCCC3(CC1=O)C)(C)C

InChIKey:

LFWRAJWJODKLTN-GVARAGBVSA-N

About the compound:

GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 234 of 234 companies. For more detailed information, please visit ECHA C&L website.

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	220.35 g/mol
XLogP3-AA	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	220.182715385 g/mol
Monoisotopic Mass	220.182715385 g/mol
Topological Polar Surface Area	17.1Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	356
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Taxodium distichum

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