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589-29-7 | 1,4-Benzenedimethanol
CAS No: 589-29-7 Catalog No: AG0032M8 MDL No:MFCD00004665
Product Description
Catalog Number:
AG0032M8
Chemical Name:
1,4-Benzenedimethanol
CAS Number:
589-29-7
Molecular Formula:
C8H10O2
Molecular Weight:
138.1638
MDL Number:
MFCD00004665
IUPAC Name:
[4-(hydroxymethyl)phenyl]methanol
InChI:
InChI=1S/C8H10O2/c9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2
InChI Key:
BWVAOONFBYYRHY-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)CO
EC Number:
209-641-2
UNII:
4919Q1C910
NSC Number:
5097
Properties
Complexity:
73.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.068g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
138.166g/mol
Monoisotopic Mass:
138.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| 1,4-Phenyl-enebis(methyl-ene) dicarbamate. | Acta crystallographica. Section E, Structure reports online 20120401 |
| Synthesis and properties of oligodeoxynucleotides containing biaryl units. | Nucleic acids symposium series (2004) 20090101 |
| Acrylate end-capped poly(ester-carbonate) and poly(ether-ester)s for polymer-on-multielectrode array devices: synthesis, photocuring, and biocompatibility. | Biomacromolecules 20080301 |
| Chemoselective nucleophilic fluorination induced by selective solvation of the SN2 transition state. | The journal of physical chemistry. B 20070222 |
| Characterization of four Rhodococcus alcohol dehydrogenase genes responsible for the oxidation of aromatic alcohols. | Applied microbiology and biotechnology 20060801 |
| Regioselective organocatalysis: a theoretical prediction of the selective rate acceleration of the SN2 reaction between an acetate ion and primary alkyl chlorides in DMSO solution. | Organic & biomolecular chemistry 20060507 |
| Synthesis and preliminary biological evaluation of O6-[4-(2-[18F]fluoroethoxymethyl)benzyl]guanine as a novel potential PET probe for the DNA repair protein O6-alkylguanine-DNA alkyltransferase in cancer chemotherapy. | Bioorganic & medicinal chemistry 20051015 |
| Synthesis and properties of nucleic acid analogues consisting of a benzene-phosphate backbone. | The Journal of organic chemistry 20050930 |
| Synthesis and characterization of mono- and bis-methano[60]fullerenyl amino acid derivatives and their reductive ring-opening retro-bingel reactions. | The Journal of organic chemistry 20021129 |
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