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1619-37-0 | 3-Isoxazolemethanol, 5-phenyl-
CAS No: 1619-37-0 Catalog No: AG00HYP6 MDL No:MFCD01444104
Product Description
Catalog Number:
AG00HYP6
Chemical Name:
3-Isoxazolemethanol, 5-phenyl-
CAS Number:
1619-37-0
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD01444104
IUPAC Name:
(5-phenyl-1,2-oxazol-3-yl)methanol
InChI:
InChI=1S/C10H9NO2/c12-7-9-6-10(13-11-9)8-4-2-1-3-5-8/h1-6,12H,7H2
InChI Key:
BPAFLGGUEBMWRN-UHFFFAOYSA-N
SMILES:
OCc1noc(c1)c1ccccc1
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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