99196-74-4
ACA
Name
ACA
Formula
C21 H23 N O3
MolWeight
337.417
1Identification
【Name】
ACA
【CAS】
【MDL】
MFCD00211365
【English Synonyms】
【Formula】
C21 H23 N O3
【MolWeight】
337.417
【Inchi】
InChI=1S/C21H23NO3/c1-2-3-4-7-16-10-12-17(13-11-16)14-15-20(23)22-19-9-6-5-8-18(19)21(24)25/h5-6,8-15H,2-4,7H2,1H3,(H,22,23)(H,24,25)/b15-14+
【InChIKey】
InChIKey=GAMRBCZMOOMBSQ-CCEZHUSRSA-N
【SMILES】
CCCCCc1ccc(cc1)/C=C/C(=O)Nc2ccccc2C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ACA.cml
Quick Release
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