58871-11-7
4-O-BENZYL-D-GLUCAL
Name
4-O-BENZYL-D-GLUCAL
Formula
C13 H16 O4
MolWeight
236.265
1Identification
【Name】
4-O-BENZYL-D-GLUCAL
【CAS】
【MDL】
MFCD01863610
【English Synonyms】
【Formula】
C13 H16 O4
【MolWeight】
236.265
【Inchi】
InChI=1S/C13H16O4/c14-8-12-13(11(15)6-7-16-12)17-9-10-4-2-1-3-5-10/h1-7,11-15H,8-9H2/t11-,12-,13+/m1/s1
【InChIKey】
InChIKey=OIWQZGBSQDJVJN-UPJWGTAASA-N
【SMILES】
c1ccc(cc1)CO[C@H]2[C@@H](C=CO[C@@H]2CO)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【WGK Germany】
3
4CML File
4-O-BENZYL-D-GLUCAL.cml
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