5878-43-3
9,10-DIHYDROLYSERGIC ACID
Name
9,10-DIHYDROLYSERGIC ACID
Formula
C16 H18 N2 O2
MolWeight
270.33
1Identification
【Name】
9,10-DIHYDROLYSERGIC ACID
【CAS】
【MDL】
MFCD16038211
【English Synonyms】
【Formula】
C16 H18 N2 O2
【MolWeight】
270.33
【Inchi】
InChI=1S/C16H18N2O2/c1-18-8-10(16(19)20)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18/h2-4,7,10,12,14,17H,5-6,8H2,1H3,(H,19,20)/t10-,12?,14-/m1/s1
【InChIKey】
InChIKey=ORBSYPFBZQJNJE-GYYYEOQOSA-N
【SMILES】
CN1C[C@@H](CC2[C@H]1Cc3c[nH]c4c3c2ccc4)C(=O)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)
4CML File
9,10-DIHYDROLYSERGIC ACID.cml
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Catalog No:5878-43-3 up to kgs
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