1H-Indene-1-methanol, alpha-methyl-, acetate

1H-Indene-1-methanol, alpha-methyl-, acetate
Compound Structure:
Synonyms: 1H-Indene-1-methanol, .alpha.-methyl-, acetate;threo-1-(1-acetoxyethyl)-indene; 1-(1H-Inden-1-yl)ethyl acetate
Compound ID: NMPC-089
PubChem ID:

539704
Molecular Formula: C13H14O2
Canonical SMILES: CC(C1C=CC2=CC=CC=C12)OC(=O)C
InChIKey: FUUSVUZJPJTOGY-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

 

Property Name

Property Value

Molecular Weight

202.25 g/mol

XLogP3-AA

2.8

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

3

Exact Mass

202.099379685 g/mol

Monoisotopic Mass

202.099379685 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

15

Formal Charge

0

Complexity

270

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

2

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem

                                                         
Source Species: Scleria depressa
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