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736136-18-8 | trans-4-(3-Fluorobenzoyl)cyclohexane-1-carboxylic acid
CAS No: 736136-18-8 Catalog No: AG01F83V MDL No:
Product Description
Catalog Number:
AG01F83V
Chemical Name:
trans-4-(3-Fluorobenzoyl)cyclohexane-1-carboxylic acid
CAS Number:
736136-18-8
Molecular Formula:
C14H15FO3
Molecular Weight:
250.2655
IUPAC Name:
4-(3-fluorobenzoyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C14H15FO3/c15-12-3-1-2-11(8-12)13(16)9-4-6-10(7-5-9)14(17)18/h1-3,8-10H,4-7H2,(H,17,18)
InChI Key:
MJLWCZHEGMDMRI-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H]1CC[C@H](CC1)C(=O)c1cccc(c1)F
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.101g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.269g/mol
Monoisotopic Mass:
250.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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