Structure

Octahydropentalenyl formate

CAS
93964-84-2
Catalog Number
ACM93964842
Category
Other Products
Molecular Weight
154.20626
Molecular Formula
C9H14O2

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Specification

Synonyms
Octahydropentalenyl formate, EINECS 300-932-0, 93964-84-2
IUPAC Name
1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl formate
SMILES
C1CC2CCC(C2C1)OC=O
InChI Key
LIERIUBKWIGWPD-UHFFFAOYSA-N
Density
1.06g/cm³
EC Number
300-932-0
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Octahydropentalenyl formate?

The molecular formula of Octahydropentalenyl formate is C9H14O2.

When was Octahydropentalenyl formate created and last modified on PubChem?

Octahydropentalenyl formate was created on 2008-12-10 and last modified on 2023-12-30 on PubChem.

What is the IUPAC name of Octahydropentalenyl formate according to PubChem?

The IUPAC name of Octahydropentalenyl formate is 1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl formate.

What is the InChIKey of Octahydropentalenyl formate?

The InChIKey of Octahydropentalenyl formate is LIERIUBKWIGWPD-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does Octahydropentalenyl formate have?

Octahydropentalenyl formate has 2 hydrogen bond acceptor counts.

What is the topological polar surface area of Octahydropentalenyl formate?

The topological polar surface area of Octahydropentalenyl formate is 26.3 Å2.

Does Octahydropentalenyl formate have any defined atom stereocenter count?

Octahydropentalenyl formate has 0 defined atom stereocenter count.

How many rotatable bond counts does Octahydropentalenyl formate have?

Octahydropentalenyl formate has 2 rotatable bond counts.

What is the exact mass of Octahydropentalenyl formate?

The exact mass of Octahydropentalenyl formate is 154.099379685 g/mol.

Is Octahydropentalenyl formate a canonicalized compound according to PubChem?

Yes, Octahydropentalenyl formate is a canonicalized compound on PubChem.

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