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Structure

2-(3,4-Dimethoxyphenyl)thiazole-5-carbaldehyde

CAS
914348-85-9
Catalog Number
ACM914348859
Category
Other Products
Molecular Weight
249.29
Molecular Formula
C12H11NO3S

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Specification

Synonyms
2-(3,4-DIMETHOXYPHENYL)THIAZOLE-5-CARBALDEHYDE
IUPAC Name
2-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carbaldehyde
Canonical SMILES
COC1=C(C=C(C=C1)C2=NC=C(S2)C=O)OC
InChI Key
PVFZZVFDLGBCDQ-UHFFFAOYSA-N
Boiling Point
413.9ºC at 760 mmHg
Flash Point
204.1ºC
Density
1.264g/cm³
Exact Mass
249.04600
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of 2-(3,4-Dimethoxyphenyl)thiazole-5-carbaldehyde?

The molecular formula is C12H11NO3S.

What is the molecular weight of 2-(3,4-Dimethoxyphenyl)thiazole-5-carbaldehyde?

The molecular weight is 249.29 g/mol.

What is the IUPAC name of 2-(3,4-Dimethoxyphenyl)thiazole-5-carbaldehyde?

The IUPAC name is 2-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carbaldehyde.

What is the InChI of 2-(3,4-Dimethoxyphenyl)thiazole-5-carbaldehyde?

The InChI is InChI=1S/C12H11NO3S/c1-15-10-4-3-8(5-11(10)16-2)12-13-6-9(7-14)17-12/h3-7H,1-2H3.

What is the InChIKey of 2-(3,4-Dimethoxyphenyl)thiazole-5-carbaldehyde?

The InChIKey is PVFZZVFDLGBCDQ-UHFFFAOYSA-N.

What is the canonical SMILES of 2-(3,4-Dimethoxyphenyl)thiazole-5-carbaldehyde?

The canonical SMILES is COC1=C(C=C(C=C1)C2=NC=C(S2)C=O)OC.

How many hydrogen bond donor counts does 2-(3,4-Dimethoxyphenyl)thiazole-5-carbaldehyde have?

It has 0 hydrogen bond donor counts.

What is the exact mass of 2-(3,4-Dimethoxyphenyl)thiazole-5-carbaldehyde?

The exact mass is 249.04596439 g/mol.

What is the topological polar surface area of 2-(3,4-Dimethoxyphenyl)thiazole-5-carbaldehyde?

The topological polar surface area is 76.7 Ų.

Is 2-(3,4-Dimethoxyphenyl)thiazole-5-carbaldehyde a canonicalized compound?

Yes, it is a canonicalized compound.

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