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4397-14-2 | 3,5-Dimethyl-4-Hydroxybenzenemethanol
CAS No: 4397-14-2 Catalog No: AG0039E7 MDL No:MFCD02912490
Product Description
Catalog Number:
AG0039E7
Chemical Name:
3,5-Dimethyl-4-Hydroxybenzenemethanol
CAS Number:
4397-14-2
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
MDL Number:
MFCD02912490
IUPAC Name:
4-(hydroxymethyl)-2,6-dimethylphenol
InChI:
InChI=1S/C9H12O2/c1-6-3-8(5-10)4-7(2)9(6)11/h3-4,10-11H,5H2,1-2H3
InChI Key:
ZVXBWEIAIZEPGR-UHFFFAOYSA-N
SMILES:
OCc1cc(C)c(c(c1)C)O
NSC Number:
128402
Properties
Complexity:
113
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:
2
Isotope Atom Count:
0
Molecular Weight:
152.193g/mol
Monoisotopic Mass:
152.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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