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(3-Oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetic acid

Catalog Number
ACMA00000791
Category
Amines
Molecular Weight
223.25
Molecular Formula
C10H9F6N

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Specification

Hazard Statements
H302
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the molecular formula of (3-Oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetic acid?

The molecular formula is C10H9NO3S.

What is the molecular weight of (3-Oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetic acid?

The molecular weight is 223.25 g/mol.

What is the IUPAC name of (3-Oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetic acid?

The IUPAC name is 2-(3-oxo-1,4-benzothiazin-4-yl)acetic acid.

What is the InChIKey of (3-Oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetic acid?

The InChIKey is JLTWTIZTEXPRTI-UHFFFAOYSA-N.

How many hydrogen bond donor counts are there in (3-Oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetic acid?

There is 1 hydrogen bond donor count.

What is the topological polar surface area of (3-Oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetic acid?

The topological polar surface area is 82.9 Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the complexity value of (3-Oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetic acid?

The complexity value is 282.

How many rotatable bond counts are there in (3-Oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetic acid?

There are 2 rotatable bond counts.

What is the exact mass of (3-Oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetic acid?

The exact mass is 223.03031432 g/mol.

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