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Reference substances

Reference substances

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General information

Inventory

EC number:
224-052-0
EC name:
(E)-anethole
CAS number:
4180-23-8

No inventory information available

Reference substance information

Synonyms
Names:
Benzene, 1-methoxy-4-(1-propenyl)-, (E)-
Benzene, 1-methoxy-4-(1E)-1-propenyl-
Identifier:
CAS number
4180-23-8
Identifier:
IUPAC name
1-methoxy-4-(1-propenyl)-benzene
Identifier:
IUPAC name
trans-Anethole
Identifier:
other: SMILES notation
COc1ccc(\C=C\C)cc1
Identifier:
other: InChl
1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+
Identifier:
other: SMILES notation
C/C=C/c1ccc(cc1)OC
Identifier:
other: InChl
InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+
Identifier:
other: SMILES notation
O(c1ccc(cc1)C=CC)C
1-methoxy-4-prop-1-en-1-ylbenzene

CAS information

CAS number:
4180-23-8

Molecular and structural information

Molecular formula:
C10H12O
Molecular weight:
148.202
SMILES notation:
COc1ccc(\C=C\C)cc1
InChl:
InChI=1/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3
Structural formula:
Chemical structure