3-Ethyl-2-methyl-1,3-benzoxazol-3-ium

HCID 21332
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Basic information

CAS
42846-14-0
Standard SMILES
CC[n+]1c(C)oc2ccccc21
InChIKey
PAWXTPSQTMYBSB-UHFFFAOYSA-N
Molecular formula
C10H12NO+
Average molar mass
162.21 g/mol
Monoisotopic mass
162.09134042

Names & identifiers

Preferred name
3-Ethyl-2-methyl-1,3-benzoxazol-3-ium
IUPAC
3-ethyl-2-methyl-1,3-benzoxazol-3-ium
English name
2-Methyl-3-ethylbenzoxazole-3-ium
Molecular weight
0

Names & synonyms

42846-14-03-ethyl-2-methyl-1,3-benzoxazol-3-ium2-Methyl-3-ethylbenzoxazole-3-ium3-ethyl-2-methylbenzoxazoliumBenzoxazolium, 3-ethyl-2-methyl-UGF3EBQ7T7SCHEMBL1046351DTXSID202747013-Ethyl-2-methylbenzoxazol-3-ium

Database identifiers

CAS
42846-14-0
PubChem CID
21332
DTXSID
DTXSID20274701
UNII
UGF3EBQ7T7
Nikkaji
J231.918G

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
17 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
12

Related reactions

1 records
New reaction record

Compound notes

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