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1823887-39-3 | Benzenemethanol, 4-(3-isoxazolyl)-
CAS No: 1823887-39-3 Catalog No: AG0023RO MDL No:
Product Description
Catalog Number:
AG0023RO
Chemical Name:
Benzenemethanol, 4-(3-isoxazolyl)-
CAS Number:
1823887-39-3
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
IUPAC Name:
[4-(1,2-oxazol-3-yl)phenyl]methanol
InChI:
InChI=1S/C10H9NO2/c12-7-8-1-3-9(4-2-8)10-5-6-13-11-10/h1-6,12H,7H2
InChI Key:
WDLADEUKRDNUGS-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)c1nocc1
Properties
Complexity:
155
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:
1.1
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