205504-03-6
(2R,3S)-1-CARBOXY-5-IODO-4-METHYL-2,3-DIHYDROXYCYCLOHEXA-4,6-DIENE
Name
(2R,3S)-1-CARBOXY-5-IODO-4-METHYL-2,3-DIHYDROXYCYCLOHEXA-4,6-DIENE
Formula
C8 H9 I O4
MolWeight
296.055
1Identification
【Name】
(2R,3S)-1-CARBOXY-5-IODO-4-METHYL-2,3-DIHYDROXYCYCLOHEXA-4,6-DIENE
【CAS】
【MDL】
MFCD00142981
【English Synonyms】
【Formula】
C8 H9 I O4
【MolWeight】
296.055
【Inchi】
InChI=1S/C8H9IO4/c1-3-5(9)2-4(8(12)13)7(11)6(3)10/h2,6-7,10-11H,1H3,(H,12,13)/t6-,7+/m0/s1
【InChIKey】
InChIKey=PHFNUCVOBHHQAQ-NKWVEPMBSA-N
【SMILES】
CC1=C(C=C([C@H]([C@H]1O)O)C(=O)O)I
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(2R,3S)-1-CARBOXY-5-IODO-4-METHYL-2,3-DIHYDROXYCYCLOHEXA-4,6-DIENE.cml
Quick Release
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Catalog No:HCH0009262 250MG
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