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100058-61-5 | Cyclobutanol, 3-(phenylmethoxy)-
CAS No: 100058-61-5 Catalog No: AG0000S1 MDL No:MFCD21756137
Product Description
Catalog Number:
AG0000S1
Chemical Name:
Cyclobutanol, 3-(phenylmethoxy)-
CAS Number:
100058-61-5
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD21756137
IUPAC Name:
3-phenylmethoxycyclobutan-1-ol
InChI:
InChI=1S/C11H14O2/c12-10-6-11(7-10)13-8-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
InChI Key:
ZGSDRBWWICYJBU-UHFFFAOYSA-N
SMILES:
OC1CC(C1)OCc1ccccc1
Properties
Complexity:
146
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:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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