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Reference substances

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IUPAC name:
1-butoxypropan-2-ol

Inventory

EC number:
204-465-2
EC name:
Vanillin
CAS number:
121-33-5
CAS number:
121-33-5
Synonyms
Names:
Benzaldehyde, 4-hydroxy-3-methoxy-
Identifier:
IUPAC name
1-butoxypropan-2-ol
Identifier:
other: SMILES notation
COC1=C(C=CC(=C1)C=O)O
Identifier:
other: SMILES notation
COC1=C(O)C=CC(C=O)=C1
Identifier:
other: InChl
InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
4-hydroxy-3-methoxybenzaldehyde

Molecular and structural information

Molecular formula:
C8H8O3
Molecular weight:
152.147
SMILES notation:
COc1cc(C=O)ccc1O
InChl:
InChI=1/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
Structural formula:
Chemical structure

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