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6971-51-3 | (3-Methoxyphenyl)methanol
CAS No: 6971-51-3 Catalog No: AG003JND MDL No:MFCD00004637
Product Description
Catalog Number:
AG003JND
Chemical Name:
(3-Methoxyphenyl)methanol
CAS Number:
6971-51-3
Molecular Formula:
C8H10O2
Molecular Weight:
138.1638
MDL Number:
MFCD00004637
IUPAC Name:
(3-methoxyphenyl)methanol
InChI:
InChI=1S/C8H10O2/c1-10-8-4-2-3-7(5-8)6-9/h2-5,9H,6H2,1H3
InChI Key:
IIGNZLVHOZEOPV-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1)OC
EC Number:
230-200-5
UNII:
I1XC3698N5
NSC Number:
66559
Properties
Complexity:
93.3
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:
1
Isotope Atom Count:
0
Molecular Weight:
138.166g/mol
Monoisotopic Mass:
138.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Characterization of four Rhodococcus alcohol dehydrogenase genes responsible for the oxidation of aromatic alcohols. | Applied microbiology and biotechnology 20060801 |
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