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4-Isopropylresorcinol

CAT: 0926-FI67912-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-FI67912-01Size:1 g
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CAS Number
23504-03-2
Synonyms
4-Isopropylbenzene-1,3-diol
MDL Number
MFCD05663778
Smiles
CC (C) C1=C (C=C (C=C1) O) O
Molecular Formula
C9H12O2
Molecular Weight
152.19 g/mol
Controlled
No

Chemical Information

4-Isopropylresorcinol
CAS Number23504-03-2
PubChem CID90135
IUPAC Name4-propan-2-ylbenzene-1,3-diol
Molecular FormulaC9H12O2
Molecular Weight152.19
XLogP2.5
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=C(C=C1)O)O
InChI
InChI=1S/C9H12O2/c1-6(2)8-4-3-7(10)5-9(8)11/h3-6,10-11H,1-2H3
InChIKey
LNFVQIGQENWZQN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Isopropylresorcinol
CAS: 23504-03-2
CID: 90135
Formula: C9H12O2
MW: 152.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.19
XLogP32.5
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

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