4-n-Propylphenol

CAT: 0063-70094582-25gSize: 25 gDry Ice: NoHazardous: No

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CAT#:0063-70094582-25gSize:25 g

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CAS Number

645-56-7

Molecular Formula

CH3CH2CH2C6H4OH

Molecular Weight

136.19

Formulation

CH3CH2CH2C6H4OH

Chemical Information

4-Propylphenol

4-Propylphenol is an alkylbenzene.

CAS Number	645-56-7
PubChem CID	12580
IUPAC Name	4-propylphenol
Molecular Formula	C9H12O
Molecular Weight	136.19
XLogP	3.2
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	82

SMILES

CCCC1=CC=C(C=C1)O

InChI

InChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3

InChIKey

KLSLBUSXWBJMEC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 645-56-7

CID: 12580

Formula: C9H12O

MW: 136.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	136.19
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	136.088815002
Monoisotopic Mass	136.088815002
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	82.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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