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1226165-87-2

1226165-87-2 | 5-cyclohexyloxazole-4-carboxylic acid

CAS No: 1226165-87-2 Catalog No: AG01FLS1 MDL No:MFCD07376164

Product Description

Catalog Number:
AG01FLS1
Chemical Name:
5-cyclohexyloxazole-4-carboxylic acid
CAS Number:
1226165-87-2
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
MDL Number:
MFCD07376164
IUPAC Name:
5-cyclohexyl-1,3-oxazole-4-carboxylic acid
InChI:
InChI=1S/C10H13NO3/c12-10(13)8-9(14-6-11-8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,12,13)
InChI Key:
XXTUSICQEKPFES-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncoc1C1CCCCC1

Properties

Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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