1,3-Cyclopentanediol, mixture of cis and trans

Inquiry

Molecular Formula:

C5H10O2

Molecular Weight:

102.13

CAS Number:

59719-74-3

Catalog Number:

59719-74-3

Product Information

Molecular Formula:

C5H10O2

Molecular Weight:

102.13

Description

1,3-Cyclopentanediol, mixture of cis and trans (CAS# 59719-74-3) is a useful research chemical.

Synonyms

cyclopentane-1,3-diol

IUPAC Name

cyclopentane-1,3-diol

Canonical SMILES

C1CC(CC1O)O

InChI

InChI=1S/C5H10O2/c6-4-1-2-5(7)3-4/h4-7H,1-3H2

InChI Key

NUUPJBRGQCEZSI-UHFFFAOYSA-N

Boiling Point

80-85 °C0.1 mmHg (lit.)

Melting Point

40 °C (lit.)

Flash Point

235.4 °CF

Purity

95 %

Density

1.094 g/cm³

Appearance

Clear colorless to slightly yellow liquid

Storage

0-6 °C

Refractive Index

n20/D 1.484 (lit.)

LogP

-0.10790

Computed Properties

XLogP3

-0.2

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

102.068079557 g/mol

Monoisotopic Mass

102.068079557 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

55.1

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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1,3-Cyclopentanediol, mixture of cis and trans

Product Information

Computed Properties

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