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527-54-8 | 3,4,5-TRIMETHYLPHENOL
CAS No: 527-54-8 Catalog No: AG003IF5 MDL No:MFCD00002305
Product Description
Catalog Number:
AG003IF5
Chemical Name:
3,4,5-TRIMETHYLPHENOL
CAS Number:
527-54-8
MDL Number:
MFCD00002305
IUPAC Name:
3,4,5-trimethylphenol
InChI:
InChI=1S/C9H12O/c1-6-4-9(10)5-7(2)8(6)3/h4-5,10H,1-3H3
InChI Key:
FDQQNNZKEJIHMS-UHFFFAOYSA-N
EC Number:
208-418-7
UNII:
8S1I71213X
NSC Number:
65648
Properties
Complexity:
99.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.089g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
136.194g/mol
Monoisotopic Mass:
136.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Polyphenolic profile as a useful tool to identify the wood used in wine aging. | Analytica chimica acta 20120630 |
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