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Structure

Pent-2-yne-1,4-diol

CAS
927-57-1
Catalog Number
ACM927571
Category
Other Products
Molecular Weight
100.115820 [g/mol]
Molecular Formula
C5H8O2

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Specification

Synonyms
Pent-2-yne-1,4-diol, EINECS 213-153-5, CID102518, 927-57-1
IUPAC Name
pent-2-yne-1,4-diol
Canonical SMILES
CC(C#CCO)O
InChI Key
WYMDIPTZPQAKJW-UHFFFAOYSA-N
Boiling Point
224.6ºC at 760mmHg
Flash Point
109.1ºC
Density
1.115g/cm³
EC Number
213-153-5
Exact Mass
100.05200
H-Bond Acceptor
2
H-Bond Donor
2
What is the molecular formula of Pent-2-yne-1,4-diol?

The molecular formula of Pent-2-yne-1,4-diol is C5H8O2.

What is the molecular weight of Pent-2-yne-1,4-diol?

The molecular weight of Pent-2-yne-1,4-diol is 100.12 g/mol.

What is the IUPAC name of Pent-2-yne-1,4-diol?

The IUPAC name of Pent-2-yne-1,4-diol is pent-2-yne-1,4-diol.

What is the InChIKey of Pent-2-yne-1,4-diol?

The InChIKey of Pent-2-yne-1,4-diol is WYMDIPTZPQAKJW-UHFFFAOYSA-N.

How many hydrogen bond donor counts does Pent-2-yne-1,4-diol have?

Pent-2-yne-1,4-diol has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does Pent-2-yne-1,4-diol have?

Pent-2-yne-1,4-diol has 2 hydrogen bond acceptor counts.

What is the exact mass of Pent-2-yne-1,4-diol?

The exact mass of Pent-2-yne-1,4-diol is 100.052429494 g/mol.

How many topological polar surface areas does Pent-2-yne-1,4-diol have?

Pent-2-yne-1,4-diol has a topological polar surface area of 40.5 Ų.

How many defined atom stereocenter counts does Pent-2-yne-1,4-diol have?

Pent-2-yne-1,4-diol has 0 defined atom stereocenter counts.

Is Pent-2-yne-1,4-diol canonicalized?

Yes, Pent-2-yne-1,4-diol is canonicalized.

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