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62521-42-0 | 4,4-dimethyl-2-(2-thienyl)-4,5-dihydro-1,3-oxazole
CAS No: 62521-42-0 Catalog No: AG01DE8S MDL No:MFCD13619960
Product Description
Catalog Number:
AG01DE8S
Chemical Name:
4,4-dimethyl-2-(2-thienyl)-4,5-dihydro-1,3-oxazole
CAS Number:
62521-42-0
Molecular Formula:
C9H11NOS
Molecular Weight:
181.2547
MDL Number:
MFCD13619960
IUPAC Name:
4,4-dimethyl-2-thiophen-2-yl-5H-1,3-oxazole
InChI:
InChI=1S/C9H11NOS/c1-9(2)6-11-8(10-9)7-4-3-5-12-7/h3-5H,6H2,1-2H3
InChI Key:
KLKPHMUQDGHCPL-UHFFFAOYSA-N
SMILES:
CC1(C)COC(=N1)c1cccs1
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.253g/mol
Monoisotopic Mass:
181.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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