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918522-84-6 | Oxazole, 2-(1-butylcyclopropyl)-4,5-dihydro-4,4-dimethyl-
CAS No: 918522-84-6 Catalog No: AG006PQS MDL No:
Product Description
Catalog Number:
AG006PQS
Chemical Name:
Oxazole, 2-(1-butylcyclopropyl)-4,5-dihydro-4,4-dimethyl-
CAS Number:
918522-84-6
Molecular Formula:
C12H21NO
Molecular Weight:
195.3012
IUPAC Name:
2-(1-butylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole
InChI:
InChI=1S/C12H21NO/c1-4-5-6-12(7-8-12)10-13-11(2,3)9-14-10/h4-9H2,1-3H3
InChI Key:
PCKJOVKAIWKKCK-UHFFFAOYSA-N
SMILES:
CCCCC1(CC1)C1=NC(CO1)(C)C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.162g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.306g/mol
Monoisotopic Mass:
195.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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