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Structure

Methyl(-)-shikimate

CAS
40983-58-2
Catalog Number
ACM40983582
Category
Other Products
Molecular Weight
188.18
Molecular Formula
C8H12O5

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Specification

Synonyms
(3R,4S,5R)-
IUPAC Name
methyl 3,4,5-trihydroxycyclohexene-1-carboxylate
Canonical SMILES
COC(=O)C1=CC(C(C(C1)O)O)O
InChI Key
LSNUUAUXWJZSFD-UHFFFAOYSA-N
Boiling Point
317.3ºC at 760 mmHg
Flash Point
127.7ºC
Density
1.489g/cm³
Appearance
White Solid
Exact Mass
188.06800
H-Bond Acceptor
5
H-Bond Donor
3
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