Products for Research Use Only
RegisterLogin

3-Isopropylcatechol

CAT: 0127-OR1039714-02Size: 250 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-OR1039714-02Size:250 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2138-48-9
MDL Number
MFCD00016434
Purity
97%
Smiles
CC(C)C1=C(C(=CC=C1)O)O

Chemical Information

3-Isopropylcatechol

3-isopropylcatechol is a member of the class of catechols that is catechol in which one of the hydrogens that is ortho to a hydroxy group has been replaced by an isopropyl group.

CAS Number2138-48-9
PubChem CID16498
IUPAC Name3-propan-2-ylbenzene-1,2-diol
Molecular FormulaC9H12O2
Molecular Weight152.19
XLogP2.3
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity123
SMILES
CC(C)C1=C(C(=CC=C1)O)O
InChI
InChI=1S/C9H12O2/c1-6(2)7-4-3-5-8(10)9(7)11/h3-6,10-11H,1-2H3
InChIKey
XLZHGKDRKSKCAU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Isopropylcatechol
CAS: 2138-48-9
CID: 16498
Formula: C9H12O2
MW: 152.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.19
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass152.083729621
Monoisotopic Mass152.083729621
Topological Polar Surface Area40.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity123
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

Related Products

CatalogName
OR93545-014-Isopropylcatechol
BUP08331-014-Isopropylcatechol
PC68253,3,3-Trifluoropropyl 3,3,3-trifluoropropanoate
OR1060769-013,3',3''-Phosphanetriyltriphenol
PC4553-013,3,3-Trifluoropropanenitrile
PC1007482-013,3,3-Trifluoropropanehydrazide
PC4452-013,3,3-Trifluoropropylmethyldimethoxysilane
PC4603-013,3,3-Trifluoropropylamine
OR1043029-013,3',3''-Nitrilotripropanamide
OR89892-013,3',3''-Nitrilotripropanenitrile

Alternative Products

CatalogName
TRC-I821995-100MG3-Isopropylcatechol
HY-139430-014-Isopropylcatechol
PDC53711-013- (3,3,3-Trifluoropropoxy) piperidine
sc-260433A3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
QPA428343,3,3-Trifluoropropanethioamide
426796-013,3,3-Trifluoroalanine
sc-261128A3,3,3-Trifluoropropionaldehyde
NU-456L3',3',3'-cAAG
JMB17199-013,3,3-Trifluoropropanehydrazide
sc-2611293,3,3-Trifluoropropionitrile

Popular Products