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15174-69-3 | 4-Hydroxy-3-methylbenzaldehyde
CAS No: 15174-69-3 Catalog No: AG003LI3 MDL No:MFCD00012360
Product Description
Catalog Number:
AG003LI3
Chemical Name:
4-Hydroxy-3-methylbenzaldehyde
CAS Number:
15174-69-3
Molecular Formula:
C8H8O2
Molecular Weight:
136.1479
MDL Number:
MFCD00012360
IUPAC Name:
4-hydroxy-3-methylbenzaldehyde
InChI:
InChI=1S/C8H8O2/c1-6-4-7(5-9)2-3-8(6)10/h2-5,10H,1H3
InChI Key:
BAKYASSDAXQKKY-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)C)O
UNII:
P8CUX6265J
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.052g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
136.15g/mol
Monoisotopic Mass:
136.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| The catabolism of 2,4-xylenol and p-cresol share the enzymes for the oxidation of para-methyl group in Pseudomonas putida NCIMB 9866. | Applied microbiology and biotechnology 20140201 |
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