| CAS Number | 20061-24-9 |
| Catalog Number | AG01DXSM(AGN-PC-002J7G) |
| Chemical Name | 1,1-Cyclobutanedimethanol, 3-(phenylmethoxy)- |
| IUPAC Name | [1-(hydroxymethyl)-3-phenylmethoxycyclobutyl]methanol |
| InChI | InChI=1S/C13H18O3/c14-9-13(10-15)6-12(7-13)16-8-11-4-2-1-3-5-11/h1-5,12,14-15H,6-10H2 |
| InChI Key | GNJZDQYKCAUMHG-UHFFFAOYSA-N |
| MDL Number | MFCD30741152 |
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.2802 |
| SMILES | OCC1(CO)CC(OCC2=CC=CC=C2)C1 |
| Synonyms | [3-(benzyloxy)-1-(hydroxymethyl)cyclobutyl]methanol,
20061-24-9,
SCHEMBL8345616,
ZINC34364125,
AKOS032470292,
SB22544,
3-(Benzyloxy)cyclobutane-1,1-bismethanol,
CS-0057134,
F9994-5462,
(3-(benzyloxy)cyclobutane-1,1-diyl)dimethanol,
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| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.284g/mol |
| Monoisotopic Mass | 222.126g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number