38754-71-1
[1,1'-BIPHENYL]-4-CARBOXYLIC ACID (3AR,4R,5R,6AS)-4-FORMYLHEXAHYDRO-2-OXO-2H-CYCLOPENTA[B]FURAN-5-YL ESTER
Name
[1,1'-BIPHENYL]-4-CARBOXYLIC ACID (3AR,4R,5R,6AS)-4-FORMYLHEXAHYDRO-2-OXO-2H-CYCLOPENTA[B]FURAN-5-YL ESTER
Formula
C21 H18 O5
MolWeight
350.368
1Identification
【Name】
[1,1'-BIPHENYL]-4-CARBOXYLIC ACID (3AR,4R,5R,6AS)-4-FORMYLHEXAHYDRO-2-OXO-2H-CYCLOPENTA[B]FURAN-5-YL ESTER
【CAS】
【MDL】
MFCD16620459
【English Synonyms】
【Formula】
C21 H18 O5
【MolWeight】
350.368
【Inchi】
InChI=1S/C21H18O5/c22-12-17-16-10-20(23)25-18(16)11-19(17)26-21(24)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,12,16-19H,10-11H2/t16-,17-,18+,19-/m1/s1
【InChIKey】
InChIKey=KBOZUCMAAWBGQV-AKHDSKFASA-N
【SMILES】
c1ccc(cc1)c2ccc(cc2)C(=O)O[C@@H]3C[C@H]4[C@@H]([C@H]3C=O)CC(=O)O4
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
[1,1'-BIPHENYL]-4-CARBOXYLIC ACID (3AR,4R,5R,6AS)-4-FORMYLHEXAHYDRO-2-OXO-2H-CYCLOPENTA[B]FURAN-5-YL ESTER.cml
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