CAS
99822-50-1 Purity
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99822-50-1 Purity
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3,4-Dihydro-7-methoxy-2H-1-naphthalenone-O-tosyloxime
CAS
99833-87-1
Catalog Number
ACM99833871
Category
Other Products
Molecular Weight
345.41
Molecular Formula
C18H19NO4S
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Specification
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
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
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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