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Reference substances

Reference substances

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General information

Inventory

EC number:
200-618-2
EC name:
Benzoic acid
CAS number:
65-85-0

No inventory information available

Reference substance information

IUPAC name:
benzoic acid
Synonyms
Names:
Benzoic acid
Identifier:
other: InChl
1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
Identifier:
other: InChl
InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
Identifier:
other: SMILES notation
O=C(O)c1ccccc
Identifier:
other: SMILES notation
OC(=O)c1ccccc1

CAS information

CAS number:
65-85-0

Molecular and structural information

Molecular formula:
C7H6O2
Molecular weight:
122.121
SMILES notation:
C(C1=CC=CC=C1)(=O)O
InChl:
InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
Structural formula:
Chemical structure