4906-28-9
4-BUTOXY-3-NITROBENZOIC ACID
Name
4-BUTOXY-3-NITROBENZOIC ACID
Formula
C11 H13 N O5
MolWeight
239.226
1Identification
【Name】
4-BUTOXY-3-NITROBENZOIC ACID
【CAS】
【MDL】
MFCD09743859
【English Synonyms】
【Formula】
C11 H13 N O5
【MolWeight】
239.226
【Inchi】
InChI=1S/C11H13NO5/c1-2-3-6-17-10-5-4-8(11(13)14)7-9(10)12(15)16/h4-5,7H,2-3,6H2,1H3,(H,13,14)
【InChIKey】
InChIKey=WMMDYUIWNRMKKM-UHFFFAOYSA-N
【SMILES】
CCCCOc1ccc(cc1[N+](=O)[O-])C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BUTOXY-3-NITROBENZOIC ACID.cml
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