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113826-87-2 | 4-Isoxazolemethanol, 3-methyl-5-phenyl-
CAS No: 113826-87-2 Catalog No: AG0009TH MDL No:MFCD03086125
Product Description
Catalog Number:
AG0009TH
Chemical Name:
4-Isoxazolemethanol, 3-methyl-5-phenyl-
CAS Number:
113826-87-2
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD03086125
IUPAC Name:
(3-methyl-5-phenyl-1,2-oxazol-4-yl)methanol
InChI:
InChI=1S/C11H11NO2/c1-8-10(7-13)11(14-12-8)9-5-3-2-4-6-9/h2-6,13H,7H2,1H3
InChI Key:
KVWBXAICROMJFG-UHFFFAOYSA-N
SMILES:
OCc1c(C)noc1c1ccccc1
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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