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2896-66-4 | Phenol, 2-methoxy-4,6-dimethyl-
CAS No: 2896-66-4 Catalog No: AG002V07 MDL No:
Product Description
Catalog Number:
AG002V07
Chemical Name:
Phenol, 2-methoxy-4,6-dimethyl-
CAS Number:
2896-66-4
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
IUPAC Name:
2-methoxy-4,6-dimethylphenol
InChI:
InChI=1S/C9H12O2/c1-6-4-7(2)9(10)8(5-6)11-3/h4-5,10H,1-3H3
InChI Key:
KEBGFIIPHINZFS-UHFFFAOYSA-N
SMILES:
COc1cc(C)cc(c1O)C
UNII:
U3TD1030MT
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.193g/mol
Monoisotopic Mass:
152.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| First total syntheses of (+/-)-penicillones A and B. | Organic letters 20071025 |
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