733742-76-2
TRANS-2-(2-ETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID
Name
TRANS-2-(2-ETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID
Formula
C16 H20 O3
MolWeight
260.331
1Identification
【Name】
TRANS-2-(2-ETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD01319744
【English Synonyms】
【Formula】
C16 H20 O3
【MolWeight】
260.331
【Inchi】
InChI=1S/C16H20O3/c1-2-11-7-3-4-8-12(11)15(17)13-9-5-6-10-14(13)16(18)19/h3-4,7-8,13-14H,2,5-6,9-10H2,1H3,(H,18,19)/t13-,14-/m1/s1
【InChIKey】
InChIKey=TVZQNSPGNBIDLO-ZIAGYGMSSA-N
【SMILES】
CCc1ccccc1C(=O)[C@@H]2CCCC[C@H]2C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
TRANS-2-(2-ETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID.cml
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Catalog No:CHM0070235 5G
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