73831-13-7
4-CYANO-3-METHYLBENZOIC ACID
Name
4-CYANO-3-METHYLBENZOIC ACID
Formula
C9 H7 N O2
MolWeight
161.159
1Identification
【Name】
4-CYANO-3-METHYLBENZOIC ACID
【CAS】
【MDL】
MFCD14582961
【English Synonyms】
【Formula】
C9 H7 N O2
【MolWeight】
161.159
【Inchi】
InChI=1S/C9H7NO2/c1-6-4-7(9(11)12)2-3-8(6)5-10/h2-4H,1H3,(H,11,12)
【InChIKey】
InChIKey=LTRYUAZFLOGRLJ-UHFFFAOYSA-N
【SMILES】
Cc1cc(ccc1C#N)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4-CYANO-3-METHYLBENZOIC ACID.cml
Quick Release
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