3-n-Propylphenol

CAT: 0024-sc-276356CSize: 500 gDry Ice: NoHazardous: No

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CAT#:0024-sc-276356CSize:500 g

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CAS Number

621-27-2

Chemical Information

3-Propylphenol

3-propylphenol is an organic molecular entity.

CAS Number	621-27-2
PubChem CID	69302
IUPAC Name	3-propylphenol
Molecular Formula	C9H12O
Molecular Weight	136.19
XLogP	2.9
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	90

SMILES

CCCC1=CC(=CC=C1)O

InChI

InChI=1S/C9H12O/c1-2-4-8-5-3-6-9(10)7-8/h3,5-7,10H,2,4H2,1H3

InChIKey

MPWGZBWDLMDIHO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 621-27-2

CID: 69302

Formula: C9H12O

MW: 136.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	136.19
XLogP3	2.9
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	90.7
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

Catalog	Name
sc-230653	2-Propylphenol
sc-232978	4-Propylphenol
sc-213834	2-Isopropyl-6-propylphenol (Propofol Impurity O)
sc-263737A	N- (3-Hydroxy-4-propylphenyl) acetamide
sc-263737	N- (3-Hydroxy-4-propylphenyl) acetamide
sc-279600	N- (4-propylphenyl) thiourea
sc-219289	N, N'-Di-n-octyl-3,3'-dithiodipropionamide
sc-358443	N, N'-Dimethyl-3,3'-dithiodipropionamide
sc-309669	3- (3-Aminophenyl) -N, N-dimethylpropanamidehydrochloride
sc-231967	3,3'-Iminobis (N, N-dimethylpropylamine)