5855-81-2
4-(2,4-DIAMINOPHENOXY)BENZOIC ACID
Name
4-(2,4-DIAMINOPHENOXY)BENZOIC ACID
Formula
C13 H12 N2 O3
MolWeight
244.249
1Identification
【Name】
4-(2,4-DIAMINOPHENOXY)BENZOIC ACID
【CAS】
【MDL】
MFCD18974624
【English Synonyms】
【Formula】
C13 H12 N2 O3
【MolWeight】
244.249
【Inchi】
InChI=1S/C13H12N2O3/c14-9-3-6-12(11(15)7-9)18-10-4-1-8(2-5-10)13(16)17/h1-7H,14-15H2,(H,16,17)
【InChIKey】
InChIKey=YOQNZIGXHKERCG-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1C(=O)O)Oc2ccc(cc2N)N
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2,4-DIAMINOPHENOXY)BENZOIC ACID.cml
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