Norborneol acetate

Compound Structure:

Synonyms:

2-Bicyclo[2.2.1]heptanyl acetate; Norbornyl acetate; 2-Norbornyl acetate; Bicyclo[2.2.1]heptan-2-ol, acetate; Norborneol acetate; Bicyclo[2.2.1]hept-2-yl acetate; Bicyclo(2.2.1)heptan-2-ol, 2-acetate; Acetic acid, bicyclo[2.2.1]hept-2-yl ester

Compound ID:

NMPC-1329

PubChem ID:

101199

Molecular Formula:

C9H14O2

Canonical SMILES:

CC(=O)OC1CC2CCC1C2

InChIKey:

YXNICIBZSREEPY-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	154.21 g/mol
XLogP3-AA	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	154.099379685 g/mol
Monoisotopic Mass	154.099379685 g/mol
Topological Polar Surface Area	26.3Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	176
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Plumeria alba

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