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89724-37-8 | 4-Oxazolemethanol, 5-methyl-2-(1-methyl-3-cyclohexen-1-yl)-
CAS No: 89724-37-8 Catalog No: AG00430Q MDL No:
Product Description
Catalog Number:
AG00430Q
Chemical Name:
4-Oxazolemethanol, 5-methyl-2-(1-methyl-3-cyclohexen-1-yl)-
CAS Number:
89724-37-8
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
IUPAC Name:
[5-methyl-2-(1-methylcyclohex-3-en-1-yl)-1,3-oxazol-4-yl]methanol
InChI:
InChI=1S/C12H17NO2/c1-9-10(8-14)13-11(15-9)12(2)6-4-3-5-7-12/h3-4,14H,5-8H2,1-2H3
InChI Key:
PTYHASXSWHMTML-UHFFFAOYSA-N
SMILES:
OCc1nc(oc1C)C1(C)CCC=CC1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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