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4-Methoxycatechol

CAT: 0013-GTR19239393-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239393-01Size:50 mg
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Description
4-Methoxycatechol is a phenolic compound used as a biochemical research standard. It serves as a key intermediate in studies of enzymatic oxidation, antioxidant mechanisms, and melanin synthesis pathways, applicable in both in vitro and in vivo experimental models.
CAS Number
3934-97-2
Smiles
OC1=CC=C (OC) C=C1O
Molecular Formula
C7H8O3
Molecular Weight
140.14
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,2-Benzenediol, 4-methoxy-

4-methoxybenzene-1,2-diol is a member of phenols and a member of methoxybenzenes.

CAS Number3934-97-2
PubChem CID587766
IUPAC Name4-methoxybenzene-1,2-diol
Molecular FormulaC7H8O3
Molecular Weight140.14
XLogP1.8
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity105
SMILES
COC1=CC(=C(C=C1)O)O
InChI
InChI=1S/C7H8O3/c1-10-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3
InChIKey
JXZABYGWFNGNLB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Benzenediol, 4-methoxy-
CAS: 3934-97-2
CID: 587766
Formula: C7H8O3
MW: 140.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight140.14
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass140.047344113
Monoisotopic Mass140.047344113
Topological Polar Surface Area49.7 Ų
Heavy Atom Count10
Formal Charge0
Complexity105
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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