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57598-32-0 | 2-(2,3-dimethoxyphenyl)-4,4-dimethyl-4,5-dihydrooxazole
CAS No: 57598-32-0 Catalog No: AG00EIIP MDL No:
Product Description
Catalog Number:
AG00EIIP
Chemical Name:
2-(2,3-dimethoxyphenyl)-4,4-dimethyl-4,5-dihydrooxazole
CAS Number:
57598-32-0
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
IUPAC Name:
2-(2,3-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole
InChI:
InChI=1S/C13H17NO3/c1-13(2)8-17-12(14-13)9-6-5-7-10(15-3)11(9)16-4/h5-7H,8H2,1-4H3
InChI Key:
GTXIBCRXNKXKCF-UHFFFAOYSA-N
SMILES:
COc1c(OC)cccc1C1=NC(CO1)(C)C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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