InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18-,26+,27+/m1/s1

【InChIKey】

InChIKey=KOZFSFOOLUUIGY-SOLYNIJKSA-N

【SMILES】

C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(C(=O)OC)O

【MOL File】

K-252A.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:2

H bond acceptor:8

XLogP3:4.0

Bulk/Fine:FB

3Material Safety Data Sheet(MSDS)

Acros Organics :K-252A

【Safety informationSymbol】

GHS08

【hazard symbol】

【Risk Code】

61-20/21/22-68/20/21/22

【Safe Code】

53-36/37-45

【WGK Germany】

4CML File

K-252A.cml

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97161-97-2 K-252A

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】