735269-72-4
CIS-3-(3-METHOXYBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID
Name
CIS-3-(3-METHOXYBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID
Formula
C15 H18 O4
MolWeight
262.303
1Identification
【Name】
CIS-3-(3-METHOXYBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD01311282
【English Synonyms】
【Formula】
C15 H18 O4
【MolWeight】
262.303
【Inchi】
InChI=1S/C15H18O4/c1-19-13-7-3-5-11(9-13)14(16)10-4-2-6-12(8-10)15(17)18/h3,5,7,9-10,12H,2,4,6,8H2,1H3,(H,17,18)/t10-,12+/m1/s1
【InChIKey】
InChIKey=WLLTZNKQSVRPKW-PWSUYJOCSA-N
【SMILES】
COc1cccc(c1)C(=O)[C@@H]2CCC[C@@H](C2)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CIS-3-(3-METHOXYBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID.cml
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Catalog No:CHM0070251 5G
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