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2,3-Dibutyl-4-methyl Phenol

CAT: 1596-AR-P31139-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P31139-01Size:10 Units
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CAS Number
29997-25-9
Molecular Formula
C15H24O
Molecular Weight
220.36
API Name
Phenol

Chemical Information

2,3-Dibutyl-4-methylphenol
CAS Number29997-25-9
PubChem CID13783542
IUPAC Name2,3-dibutyl-4-methylphenol
Molecular FormulaC15H24O
Molecular Weight220.35
XLogP5.7
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Heavy Atom Count16
Formal Charge0
Complexity178
SMILES
CCCCC1=C(C=CC(=C1CCCC)O)C
InChI
InChI=1S/C15H24O/c1-4-6-8-13-12(3)10-11-15(16)14(13)9-7-5-2/h10-11,16H,4-9H2,1-3H3
InChIKey
RFRKTGYVXQRDJH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Dibutyl-4-methylphenol
CAS: 29997-25-9
CID: 13783542
Formula: C15H24O
MW: 220.35
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight220.35
XLogP35.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass220.182715385
Monoisotopic Mass220.182715385
Topological Polar Surface Area20.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity178
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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