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Reference substances

Reference substances

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General information

Inventory

EC number:
214-881-6
EC name:
α-methyl-1,3-benzodioxole-5-propionaldehyde
CAS number:
1205-17-0

No inventory information available

Reference substance information

IUPAC name:
3-(2H-1,3-benzodioxol-5-yl)-2-methylpropanal
Synonyms
Names:
1,3-Benzodioxole-5-propanal, .alpha.-methyl-
1,3-Benzodioxole-5-propanal, ?-methyl-
α-methyl-3,4-methylene-dioxyhydrocinnamic aldehyde
Identifier:
CAS number
1205-17-0
Identifier:
EC number
214-881-6
Identifier:
IUPAC name
(1,3-benzodioxol-5-yl)-2-methyl propanal
Identifier:
other: SMILES notation
CC(CC1=CC2=C(C=C1)OCO2)C=O
Identifier:
other: InChl
InChI=1S/C11H12O3/c1-8(6-12)4-9-2-3-10-11(5-9)14-7-13-10/h2-3,5-6,8H,4,7H2,1H3
3-(1,3-benzodioxol-5-yl)-2-methylpropanal

CAS information

CAS number:
1205-17-0

Molecular and structural information

Molecular formula:
C11H12O3
Molecular weight:
192.211
SMILES notation:
CC(Cc1ccc2OCOc2c1)C=O
InChl:
InChI=1/C11H12O3/c1-8(6-12)4-9-2-3-10-11(5-9)14-7-13-10/h2-3,5-6,8H,4,7H2,1H3
Structural formula:
Chemical structure