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4-Heptyloxyphenol

CAT: 0926-FH61836-01Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-FH61836-01Size:0.5 g
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CAS Number
13037-86-0
Synonyms
Hydroquinone Monoheptyl Ether
MDL Number
MFCD00002338
Smiles
CCCCCCCOC1=CC=C (C=C1) O
Molecular Formula
C13H20O2
Molecular Weight
208.3 g/mol
Controlled
No

Chemical Information

4-(Heptyloxy)phenol

4-Heptyloxyphenol is an aromatic ether.

CAS Number13037-86-0
PubChem CID25641
IUPAC Name4-heptoxyphenol
Molecular FormulaC13H20O2
Molecular Weight208.30
XLogP4.6
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count15
Formal Charge0
Complexity139
SMILES
CCCCCCCOC1=CC=C(C=C1)O
InChI
InChI=1S/C13H20O2/c1-2-3-4-5-6-11-15-13-9-7-12(14)8-10-13/h7-10,14H,2-6,11H2,1H3
InChIKey
HZBABTUFXQLADL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Heptyloxy)phenol
CAS: 13037-86-0
CID: 25641
Formula: C13H20O2
MW: 208.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.30
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass208.146329876
Monoisotopic Mass208.146329876
Topological Polar Surface Area29.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity139
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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