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Reference substances

Reference substances

IUPAC name:
3-(7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl)propanoic acid

Inventory

EC number:
435-830-6
EC name:
-
CAS number:
-
Description:
DIKETO ACID
CAS number:
1944-63-4
Synonyms
Names:
3-[(7aS)-7a-methyl-1,5-dioxooctahydro-1H-inden-4-yl]propanoic acid

Molecular and structural information

Molecular formula:
C13 H18 O4
Molecular weight:
238.283
SMILES notation:
C2CC1C(C(CC[C@@]1(C2=O)C)=O)CCC(O)=O
InChl:
InChI=1/C13H18O4/c1-13-7-6-10(14)8(2-5-12(16)17)9(13)3-4-11(13)15/h8-9H,2-7H2,1H3,(H,16,17)/t8?,9?,13-/m0/s1/f/h16H
Structural formula:
Chemical structure

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