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3-methyl-butane-1,3-diol

PropertiesImage
MNX_IDMNXM164252 Image of MNXM164252
referencemetacycM:CPD-19085
formulaC5H12O2
global charge0
mol weight104.149
InChIKeyXPFCZYUVICHKDS-UHFFFAOYSA-N
InChIInChI=1S/C5H12O2/c1-5(2,7)3-4-6/h6-7H,3-4H2,1-2H3
SMILESCC(C)(O)CCO
MNX internals
InChI (mnx)InChI=1/C5H12O2/c1-5(2,7)3-4-6/h6-7H,3-4H2,1-2H3 Image of MNXM164252
SMILES (mnx)[CH3:1][C:5]([CH3:2])([CH2:3][CH2:4][OH:6])[OH:7]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-19085
metacycM:CPD-19085
XPFCZYUVICHKDS-UHFFFAOYSA-N
3-methyl-butane-1,3-diol
3-methyl-1,3-butanediol

seed.compound:cpd35276
seedM:cpd35276
XPFCZYUVICHKDS-UHFFFAOYSA-N
3-methyl-1,3-butanediol
3-methyl-butane-1,3-diol

envipath:...1f11156260f6
envipathM:...1f11156260f6
XPFCZYUVICHKDS-UHFFFAOYSA-N
compound 0046478

seedM:M_cpd35276
secondary/obsolete/fantasy identifier