58782-36-8
SERPENTINE HYDROGEN TARTRATE
Name
SERPENTINE HYDROGEN TARTRATE
Formula
C21 H21 N2 O3 . C4 H5 O6
MolWeight
498.485
1Identification
【Name】
SERPENTINE HYDROGEN TARTRATE
【CAS】
18786-24-8
;58782-36-8
【MDL】
MFCD00075679
【English Synonyms】
【Formula】
C21 H21 N2 O3 . C4 H5 O6
【MolWeight】
498.485
【Inchi】
InChI=1S/C21H20N2O3.C4H6O6/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2;5-1(3(7)8)2(6)4(9)10/h3-8,11-12,15-16H,9-10H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t12-,15?,16?;/m0./s1
【InChIKey】
InChIKey=DSBKFQYHOCFEJB-PXVZYFAQSA-N
【SMILES】
C[C@H]1C2C[n+]3ccc4c5ccccc5[nH]c4c3CC2C(=CO1)C(=O)OC.C(C(C(=O)[O-])O)(C(=O)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
SERPENTINE HYDROGEN TARTRATE.cml
Quick Release
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