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Structure

1,3-Diphenyl-2-propyn-1-ol

CAS
1817-49-8
Catalog Number
ACM1817498
Category
Other Products; Alkynes
Molecular Weight
208.26
Molecular Formula
C15H12O

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Specification

Synonyms
1,3-diphenyl-2-propyn-1-ol, MolPort-002-051-559, NSC167103, CID296659, 1817-49-8
IUPAC Name
1,3-diphenylprop-2-yn-1-ol
Canonical SMILES
C1=CC=C(C=C1)C#CC(C2=CC=CC=C2)O
InChI Key
DZZWMODRWHHWFR-UHFFFAOYSA-N
Boiling Point
364.7ºC at 760mmHg
Flash Point
170.4ºC
Density
1.14g/cm³
Exact Mass
208.08900
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
1
H-Bond Donor
1
RIDADR
NONH for all modes of transport
Safety Description
S26
Symbol
GHS05
What is the molecular formula of 1,3-Diphenyl-2-propyn-1-ol?

The molecular formula is C15H12O.

What is the IUPAC name of 1,3-Diphenyl-2-propyn-1-ol?

The IUPAC name is 1,3-diphenylprop-2-yn-1-ol.

What is the CAS number of 1,3-Diphenyl-2-propyn-1-ol?

The CAS number is 1817-49-8.

What is the molecular weight of 1,3-Diphenyl-2-propyn-1-ol?

The molecular weight is 208.25 g/mol.

What is the InChIKey of 1,3-Diphenyl-2-propyn-1-ol?

The InChIKey is DZZWMODRWHHWFR-UHFFFAOYSA-N.

How many hydrogen bond donor atoms are present in 1,3-Diphenyl-2-propyn-1-ol?

There is 1 hydrogen bond donor atom.

How many hydrogen bond acceptor atoms are present in 1,3-Diphenyl-2-propyn-1-ol?

There is 1 hydrogen bond acceptor atom.

What is the topological polar surface area of 1,3-Diphenyl-2-propyn-1-ol?

The topological polar surface area is 20.2 Ų.

How many rotatable bonds are there in 1,3-Diphenyl-2-propyn-1-ol?

There are 2 rotatable bonds.

Is 1,3-Diphenyl-2-propyn-1-ol a canonicalized compound?

Yes, it is a canonicalized compound.

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