52934-83-5
1H-NAPHTHO[2,3-C]PYRAN-3-ACETIC ACID, 3,4,5,10-TETRAHYDRO-9-HYDROXY-1-METHYL-5,10-DIOXO-(1S,3R)-
Name
1H-NAPHTHO[2,3-C]PYRAN-3-ACETIC ACID, 3,4,5,10-TETRAHYDRO-9-HYDROXY-1-METHYL-5,10-DIOXO-(1S,3R)-
Formula
C16 H14 O6
MolWeight
302.281
1Identification
【Name】
1H-NAPHTHO[2,3-C]PYRAN-3-ACETIC ACID, 3,4,5,10-TETRAHYDRO-9-HYDROXY-1-METHYL-5,10-DIOXO-(1S,3R)-
【CAS】
【MDL】
MFCD00869168
【English Synonyms】
【Formula】
C16 H14 O6
【MolWeight】
302.281
【Inchi】
InChI=1S/C16H14O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)/t7-,8+/m0/s1
【InChIKey】
InChIKey=ZCJHPTKRISJQTN-JGVFFNPUSA-N
【SMILES】
C[C@H]1C2=C(C[C@@H](O1)CC(=O)O)C(=O)c3cccc(c3C2=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-NAPHTHO[2,3-C]PYRAN-3-ACETIC ACID, 3,4,5,10-TETRAHYDRO-9-HYDROXY-1-METHYL-5,10-DIOXO-(1S,3R)-.cml
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