4-Methylcatechol

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Catalog Number
ACM452868
Product Name
4-Methylcatechol
Structure
Structure
CAS
452-86-8
Category
Heterocyclic Organic Compound
Description
Solid
Synonyms
2-Hydroxy-4-methylphenol
IUPAC Name
4-Methylbenzene-1,2-diol
Molecular Weight
124.14
Molecular Formula
C7H8O2
Canonical SMILES
CC1=CC(=C(C=C1)O)O
InChI
InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3
InChI Key
ZBCATMYQYDCTIZ-UHFFFAOYSA-N
Boiling Point
251 °C(lit.)
Melting Point
67-69 °C(lit.)
Flash Point
140 °C
Density
1.129 g/mL at 25 °C(lit.)
Solubility
Soluble in water
Appearance
Solid
Storage
Keep in dark place, inert atmosphere, room temperature
Complexity
92.9
Covalently-Bonded Unit Count
1
EC Number
207-214-5
Exact Mass
124.052429494
Formal Charge
0
H-Bond Acceptor
2
H-Bond Donor
2
Heavy Atom Count
9
LogP
1.37 (LogP);1.37
Monoisotopic Mass
124.052429494
NSC Number
17489
Physical State
Powder
pKa
9.91±0.10(Predicted)
Refractive Index
1.5425
Rotatable Bond Count
0
Storage Conditions
Dark place,inert atmosphere,Room temperature
Topological Polar Surface Area
40.5 Ų
UNII
12GLI7JGB3
XLogP3
1.4
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