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Reference substances

Reference substances

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General information

Inventory

EC number:
203-631-1
EC name:
Cyclohexanone
CAS number:
108-94-1

No inventory information available

Reference substance information

IUPAC name:
cyclohexanone
Synonyms
Names:
Cyclohexanone
Identifier:
CAS number
108-94-1
Identifier:
EC name
Cyclohexanone
Identifier:
EC number
203-631-1
Identifier:
IUPAC name
108-94-1 13126_108-94-1 Cicloesanone Cyclo hexanone Cyclohexan Cyclohexanon CYCLOHEXANONE Cyclohexyl ketone
Identifier:
IUPAC name
Cyclohexanone
Identifier:
other: InChl
1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
Identifier:
other: InChl
1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
Identifier:
other: SMILES notation
C1(CCCCC1)=O
Identifier:
other: InChl
InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2 AuxInfo=1/0/N:4,3,5,2,6,1,7/E:(2,3)(4,5)/rA:7CCCCCCO/rB:s1;s2;s3;s4;s1s5;d1;/rC:2.3131,-1.3529,0;3.1304,-2.6582,0;2.3131,-3.9635,0;.8172,-3.9635,0;0,-2.6582,0;.8172,-1.3529,0;3.0669,0,0;
cyclohexanone

CAS information

CAS number:
108-94-1

Molecular and structural information

Molecular formula:
C6H10O
Molecular weight:
98.143
SMILES notation:
O=C1CCCCC1
InChl:
InChI=1/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
Structural formula:
Chemical structure