document.write('
34000-39-0
HOMOBUTEIN
Name
HOMOBUTEIN
Formula
C16 H14 O5
MolWeight
286.282
1Identification
【Name】
HOMOBUTEIN
【CAS】
【MDL】
MFCD00016769
【English Synonyms】
【Formula】
C16 H14 O5
【MolWeight】
286.282
【Inchi】
InChI=1S/C16H14O5/c1-21-16-8-10(3-7-14(16)19)2-6-13(18)12-5-4-11(17)9-15(12)20/h2-9,17,19-20H,1H3/b6-2+
【InChIKey】
InChIKey=BWFSBUVPIAIXKJ-QHHAFSJGSA-N
【SMILES】
COc1cc(ccc1O)/C=C/C(=O)c2ccc(cc2O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
HOMOBUTEIN.cml
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Catalog No:3B3-057755 0.05G
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