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2-{[3-(2-methoxyethoxy)phenyl]carbamoyl}cyclohexane-1-carboxylic acid

2-{[3-(2-methoxyethoxy)phenyl]carbamoyl}cyclohexane-1-carboxylic acid

CAS: 925161-43-9

Formula: C17H23NO5

SMILES: COCCOC1=CC=CC(NC(=O)C2CCCCC2C(O)=O)=C1

IUPAC: 2-{[3-(2-methoxyethoxy)phenyl]carbamoyl}cyclohexane-1-carboxylic acid

InChI: InChI=1/C17H23NO5/c1-22-9-10-23-13-6-4-5-12(11-13)18-16(19)14-7-2-3-8-15(14)17(20)21/h4-6,11,14-15H,2-3,7-10H2,1H3,(H,18,19)(H,20,21)

Composition: C (63.54%), H (7.21%), N (4.36%), O (24.89%)

Molar Mass: 321.373

Atom Count: 46

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 321.157622845
Formal Charge 0
FSP3 0.53
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey AOMPZGUGHVKHGF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 85.87
Topological Polar Surface Area 84.86
Polarizability 32.98
Ring Count 2
Rotatable Bond Count 7

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95% <2 Days 925161-43-9 $212.83-$327.27$212.83$327.27
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