1-Phenyl-1-propyne

CAT: 0024-sc-224789Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-224789Size:5 g

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CAS Number

673-32-5

Chemical Information

Methylphenylacetylene

CAS Number	673-32-5
PubChem CID	69601
IUPAC Name	prop-1-ynylbenzene
Molecular Formula	C9H8
Molecular Weight	116.16
XLogP	3
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	127

SMILES

CC#CC1=CC=CC=C1

InChI

InChI=1S/C9H8/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,1H3

InChIKey

GHUURDQYRGVEHX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 673-32-5

CID: 69601

Formula: C9H8

MW: 116.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	116.16
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	116.062600255
Monoisotopic Mass	116.062600255
Topological Polar Surface Area	0 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	127
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