5428-02-4
2-NITRO-2-PHENYLPROPANE-1,3-DIOL
Name
2-NITRO-2-PHENYLPROPANE-1,3-DIOL
Formula
C9 H11 N O4
MolWeight
197.189
1Identification
【Name】
2-NITRO-2-PHENYLPROPANE-1,3-DIOL
【CAS】
【MDL】
MFCD00218497
【English Synonyms】
【Formula】
C9 H11 N O4
【MolWeight】
197.189
【Inchi】
InChI=1S/C9H11NO4/c11-6-9(7-12,10(13)14)8-4-2-1-3-5-8/h1-5,11-12H,6-7H2
【InChIKey】
InChIKey=AJRYCRIQZBMNEO-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)C(CO)(CO)[N+](=O)[O-]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-NITRO-2-PHENYLPROPANE-1,3-DIOL.cml
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