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5446-46-8
BENZOYL-DL-A-ALANINE ETHYL ESTER
Name
BENZOYL-DL-A-ALANINE ETHYL ESTER
Formula
C12 H15 N O3
MolWeight
221.255
1Identification
【Name】
BENZOYL-DL-A-ALANINE ETHYL ESTER
【CAS】
【MDL】
MFCD00082821
【English Synonyms】
【Formula】
C12 H15 N O3
【MolWeight】
221.255
【Inchi】
InChI=1S/C12H15NO3/c1-3-16-12(15)9(2)13-11(14)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,14)
【InChIKey】
InChIKey=OJNMULJHNFYKCF-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C(C)NC(=O)c1ccccc1
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZOYL-DL-A-ALANINE ETHYL ESTER.cml
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