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303985-55-9 | 3,5-Dimethyl-4-(phenoxymethyl)isoxazole
CAS No: 303985-55-9 Catalog No: AG00I5PJ MDL No:MFCD01314794
Product Description
Catalog Number:
AG00I5PJ
Chemical Name:
3,5-Dimethyl-4-(phenoxymethyl)isoxazole
CAS Number:
303985-55-9
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD01314794
IUPAC Name:
3,5-dimethyl-4-(phenoxymethyl)-1,2-oxazole
InChI:
InChI=1S/C12H13NO2/c1-9-12(10(2)15-13-9)8-14-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChI Key:
USUHCZGGIBTHLA-UHFFFAOYSA-N
SMILES:
Cc1onc(c1COc1ccccc1)C
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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