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1903050-29-2 | 3-Oxetanemethanol, 3-(4-methylphenyl)-
CAS No: 1903050-29-2 Catalog No: AG002EGL MDL No:
Product Description
Catalog Number:
AG002EGL
Chemical Name:
3-Oxetanemethanol, 3-(4-methylphenyl)-
CAS Number:
1903050-29-2
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
[3-(4-methylphenyl)oxetan-3-yl]methanol
InChI:
InChI=1S/C11H14O2/c1-9-2-4-10(5-3-9)11(6-12)7-13-8-11/h2-5,12H,6-8H2,1H3
InChI Key:
CCCMCBPWFXNLOX-UHFFFAOYSA-N
SMILES:
OCC1(COC1)c1ccc(cc1)C
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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