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{Error}
Predict NMR spectrum
RN: 
18829-55-5
MF:  {Error}
MW: 
112.17168
bp (°C): 
90  - 91  (p=50 torr)
density: 
0.84
nd: 
1.445  - 1.451
InChI:  1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+
InChIKey:  NDFKTBCGKNOHPJ-AATRIKPKSA-N
H donor:  0
H acceptor:  1
Rotatable bond:  4
Stereocenter:  0
cLogP:  2.391
cLogS:  -1.814
Polar surface:  17.07
NEW: 3D model: 
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  Supplier     Description     Reference  
bocsci {error}, {error}
on request
advtechind {error}, {error}
INQUIRY
advtechind {error}, {error}
5G
advtechind {error}, {error}
{Error}
amadischem {error}, {error}
Bulk, semi-bulk
leapchem {error}, {error}
on request
leapchem {error}, {error}
on request
leapchem {error}, {error}
on request
alfa-chemistry {error}, {error}
{Error}
aifchem {error}, {error}
100g
advtechind {error}, {error}
5G
advtechind {error}, {error}
{Error}
carbonesci {error}, {error}
on request
lingruichem {error}, {error}
on request
oakwood {error}, {error}
{Error}
aboundchem {error}, {error}
{Error}
rosewachem {error}, {error}
on request
sagechem {error}, {error}
on request
biosynth {error}, {error}
on request
rosewachem {error}, {error}
on request

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