544478-19-5
MRS 1845
Name
MRS 1845
Formula
C21 H22 N2 O6
MolWeight
398.413
1Identification
【Name】
MRS 1845
【CAS】
【MDL】
MFCD06798381
【English Synonyms】
【Formula】
C21 H22 N2 O6
【MolWeight】
398.413
【Inchi】
InChI=1S/C21H22N2O6/c1-6-11-22-13(3)17(20(24)28-5)19(18(14(22)4)21(25)29-7-2)15-9-8-10-16(12-15)23(26)27/h1,8-10,12,19H,7,11H2,2-5H3
【InChIKey】
InChIKey=BITHABUTZRAUGT-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C1=C(N(C(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OC)C)CC#C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【WGK Germany】
3
4CML File
MRS 1845.cml
Quick Release
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Country/Region:Hong Kong
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