2-Phenyl-1-propanol

CAT: 0024-sc-223456Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-223456Size:5 g

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CAS Number

1123-85-9

Chemical Information

2-Phenyl-1-propanol

2-Phenyl-1-propanol is a member of benzenes.

CAS Number	1123-85-9
PubChem CID	14295
IUPAC Name	2-phenylpropan-1-ol
Molecular Formula	C9H12O
Molecular Weight	136.19
XLogP	2.4
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	84

SMILES

CC(CO)C1=CC=CC=C1

InChI

InChI=1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3

InChIKey

RNDNSYIPLPAXAZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1123-85-9

CID: 14295

Formula: C9H12O

MW: 136.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	136.19
XLogP3	2.4
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	84.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes