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Structure

Thieno[3,4-b]-1,4-dioxin,2,3-dihydro-5-(4-methoxyphenyl)-

CAS
925674-54-0
Catalog Number
ACM925674540
Category
Other Products
Molecular Weight
248.30
Molecular Formula
C13H12O3S

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Specification

Synonyms
CTK8D4291, AKOS015851870, Thieno[3,4-b]-1,4-dioxin, 2,3-dihydro-5-(4-methoxyphenyl)-, 925674-54-0
IUPAC Name
5-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
Canonical SMILES
COC1=CC=C(C=C1)C2=C3C(=CS2)OCCO3
InChI Key
XUQGMFYCGYHWKU-UHFFFAOYSA-N
Exact Mass
248.05100
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of the compound?

The molecular formula of the compound is C13H12O3S.

What are the synonyms for the compound?

The synonyms for the compound are 925674-54-0, 5-(4-Methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine, Thieno[3,4-b]-1,4-dioxin,2,3-dihydro-5-(4-methoxyphenyl)-, SCHEMBL17713608, and DTXSID50718840.

What is the molecular weight of the compound?

The molecular weight of the compound is 248.30 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 5-(4-methoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C13H12O3S/c1-14-10-4-2-9(3-5-10)13-12-11(8-17-13)15-6-7-16-12/h2-5,8H,6-7H2,1H3.

What is the InChIKey of the compound?

The InChIKey of the compound is XUQGMFYCGYHWKU-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is COC1=CC=C(C=C1)C2=C3C(=CS2)OCCO3.

What is the CAS number of the compound?

The CAS number of the compound is 925674-54-0.

What is the DSSTox Substance ID of the compound?

The DSSTox Substance ID of the compound is DTXSID50718840.

Is the compound considered canonicalized?

Yes, the compound is considered canonicalized.

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