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736136-12-2 | trans-4-(2-Ethylbenzoyl)cyclohexane-1-carboxylic acid
CAS No: 736136-12-2 Catalog No: AG01F8CX MDL No:
Product Description
Catalog Number:
AG01F8CX
Chemical Name:
trans-4-(2-Ethylbenzoyl)cyclohexane-1-carboxylic acid
CAS Number:
736136-12-2
Molecular Formula:
C16H20O3
Molecular Weight:
260.3282
IUPAC Name:
4-(2-ethylbenzoyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C16H20O3/c1-2-11-5-3-4-6-14(11)15(17)12-7-9-13(10-8-12)16(18)19/h3-6,12-13H,2,7-10H2,1H3,(H,18,19)
InChI Key:
YEUZWIQVVUGMJX-UHFFFAOYSA-N
SMILES:
CCc1ccccc1C(=O)[C@@H]1CC[C@H](CC1)C(=O)O
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.141g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.333g/mol
Monoisotopic Mass:
260.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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