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89724-35-6 | 4-Oxazoleacetic acid,5-methyl-2-(1-methylcyclohexyl)-
CAS No: 89724-35-6 Catalog No: AG00430R MDL No:
Product Description
Catalog Number:
AG00430R
Chemical Name:
4-Oxazoleacetic acid,5-methyl-2-(1-methylcyclohexyl)-
CAS Number:
89724-35-6
Molecular Formula:
C13H19NO3
Molecular Weight:
237.2949
IUPAC Name:
2-[5-methyl-2-(1-methylcyclohexyl)-1,3-oxazol-4-yl]acetic acid
InChI:
InChI=1S/C13H19NO3/c1-9-10(8-11(15)16)14-12(17-9)13(2)6-4-3-5-7-13/h3-8H2,1-2H3,(H,15,16)
InChI Key:
UZKFWBFLCWZXBJ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1nc(oc1C)C1(C)CCCCC1
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.299g/mol
Monoisotopic Mass:
237.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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