88681-64-5
ALPHA-ACETAMIDO-2-METHYLCINNAMIC ACID
Name
ALPHA-ACETAMIDO-2-METHYLCINNAMIC ACID
Formula
C12 H13 N O3
MolWeight
219.239
1Identification
【Name】
ALPHA-ACETAMIDO-2-METHYLCINNAMIC ACID
【CAS】
【MDL】
MFCD03093074
【English Synonyms】
【Formula】
C12 H13 N O3
【MolWeight】
219.239
【Inchi】
InChI=1S/C12H13NO3/c1-8-5-3-4-6-10(8)7-11(12(15)16)13-9(2)14/h3-7H,1-2H3,(H,13,14)(H,15,16)/b11-7-
【InChIKey】
InChIKey=CHZDNJUDKTYQAS-XFFZJAGNSA-N
【SMILES】
Cc1ccccc1/C=C(/C(=O)O)\NC(=O)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
ALPHA-ACETAMIDO-2-METHYLCINNAMIC ACID.cml
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