652171-88-5
1-(5-METHYLFURAN-2-AMIDO)CYCLOHEXANE-1-CARBOXYLIC ACID
Name1-(5-METHYLFURAN-2-AMIDO)CYCLOHEXANE-1-CARBOXYLIC ACID
1Identification
【Name】
1-(5-METHYLFURAN-2-AMIDO)CYCLOHEXANE-1-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD11538138
【English Synonyms】
【Formula】
C13 H17 N O4
【MolWeight】
251.28
【Inchi】
InChI=1S/C13H17NO4/c1-9-5-6-10(18-9)11(15)14-13(12(16)17)7-3-2-4-8-13/h5-6H,2-4,7-8H2,1H3,(H,14,15)(H,16,17)
【InChIKey】
InChIKey=KWLANVTYNMFWRR-UHFFFAOYSA-N
【SMILES】
Cc1ccc(o1)C(=O)NC2(CCCCC2)C(=O)O
【MOL File】
1-(5-METHYLFURAN-2-A….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(5-METHYLFURAN-2-AMIDO)CYCLOHEXANE-1-CARBOXYLIC ACID.cml