| CAS Number | 38002-96-9 |
| Catalog Number | AG00C5ZH(AGN-PC-05BJ9Y) |
| Chemical Name | (3-[(2-Methyl-2-propen-1-yl)oxy]phenyl)methanol |
| IUPAC Name | [3-(2-methylprop-2-enoxy)phenyl]methanol |
| InChI | InChI=1S/C11H14O2/c1-9(2)8-13-11-5-3-4-10(6-11)7-12/h3-6,12H,1,7-8H2,2H3 |
| InChI Key | RJOQHHOJBRMRTO-UHFFFAOYSA-N |
| MDL Number | MFCD08753013 |
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.2277 |
| SMILES | C(C)(COC1C=CC=C(CO)C=1)=C |
| Synonyms | 38002-96-9,
(3-((2-Methylallyl)oxy)phenyl)methanol,
CHEMBRDG-BB 9070809,
Benzenemethanol, 3-[(2-methyl-2-propenyl)oxy]-,
{3-[(2-methyl-2-propen-1-yl)oxy]phenyl}methanol,
(3-[(2-Methyl-2-propen-1-yl)oxy]phenyl)methanol,
SCHEMBL10256292,
CTK1A9190,
DTXSID30651100,
MFCD08753013,
ZINC19094198,
AKOS000248022,
AJ-72364,
Y-4718,
{3-[(2-Methylprop-2-en-1-yl)oxy]phenyl}methanol,
Benzenemethanol, 3-[(2-methyl-2-propen-1-yl)oxy]-,
CHEMBRDG-BB9070809,
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| Complexity | 166 |
| 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 | 4 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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