3,4-Dihydro-7-methoxy-2H-1-naphthalenone-O-tosyloxime

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CAS
99833-87-1
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Purity
96%
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Catalog Number

ACM99833871

Product Name

3,4-Dihydro-7-methoxy-2H-1-naphthalenone-O-tosyloxime

Structure

Structure

CAS

99833-87-1

Category

Heterocyclic Organic Compound

Synonyms

3,4-DIHYDRO-7-METHOXY-2H-1-NAPHTHALENONE-O-TOSYLOXIME;3,4-Dihydro-7-methoxy-1(2H)-naphthalenone O-[(4-Methylphenyl)sulfonyl]oxime

IUPAC Name

[(E)-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 4-methylbenzenesulfonate

Molecular Weight

345.41

Molecular Formula

C₁₈H₁₉NO₄S

InChI Key

JYVZHEYOQGNVJZ-VHEBQXMUSA-N

Boiling Point

509.1ºC at 760 mmHg

Melting Point

133-134ºC

Flash Point

261.7ºC

Density

1.26g/cm³

Appearance

White Crystalline Solid

Exact Mass

345.10300

H-Bond Acceptor

5

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 3,4-Dihydro-7-methoxy-2H-1-naphthalenone-O-tosyloxime?

The molecular formula is C18H19NO4S.

What is the PubChem CID of 3,4-Dihydro-7-methoxy-2H-1-naphthalenone-O-tosyloxime?

The PubChem CID is 5379270.

What is the IUPAC name of the compound?

The IUPAC name is [(E)-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 4-methylbenzenesulfonate.

What is the InChI of the compound?

The InChI is InChI=1S/C18H19NO4S/c1-13-6-10-16(11-7-13)24(20,21)23-19-18-5-3-4-14-8-9-15(22-2)12-17(14)18/h6-12H,3-5H2,1-2H3/b19-18+.

What is the InChIKey of the compound?

The InChIKey is JYVZHEYOQGNVJZ-VHEBQXMUSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CC1=CC=C(C=C1)S(=O)(=O)ON=C2CCCC3=C2C=C(C=C3)OC.

What is the molecular weight of 3,4-Dihydro-7-methoxy-2H-1-naphthalenone-O-tosyloxime?

The molecular weight is 345.4 g/mol.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 4.1.

How many hydrogen bond donor count does the compound have?

The compound has 0 hydrogen bond donor count.

How many rotatable bond count does the compound have?

The compound has 4 rotatable bond count.

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