4-Ethynyl-benzenemethanol

CAT: 0127-OR939454-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR939454-01Size:1 g

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CAS Number

10602-04-7

Synonyms

(4-Ethynylphenyl) methanol

MDL Number

MFCD05664205

Purity

98%

Smiles

OCc1ccc(cc1)C#C

Storage Conditions

Store at 2-8°C

Chemical Information

(4-Ethynylphenyl)methanol

CAS Number	10602-04-7
PubChem CID	11170993
IUPAC Name	(4-ethynylphenyl)methanol
Molecular Formula	C9H8O
Molecular Weight	132.16
XLogP	1.5
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	134

SMILES

C#CC1=CC=C(C=C1)CO

InChI

InChI=1S/C9H8O/c1-2-8-3-5-9(7-10)6-4-8/h1,3-6,10H,7H2

InChIKey

QCZORVSTESPHCO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 10602-04-7

CID: 11170993

Formula: C9H8O

MW: 132.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	132.16
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	132.057514874
Monoisotopic Mass	132.057514874
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	134
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
OR1095048-01	α-[2- (4-Methylphenyl) ethynyl]benzenemethanol
PC1009577-01	α-[2-[4- (Trifluoromethyl) phenyl]ethynyl]benzenemethanol
OR1080148-01	4-Chloro-α-[2- (trimethylsilyl) ethynyl]benzenemethanol
OR1088857-01	α, α-Dimethyl-4-[2- (trimethylsilyl) ethynyl]benzenemethanol
OR1088772-01	α, α-Dimethyl-4-[2- (triethylsilyl) ethynyl]benzenemethanol
OR1094169-01	α-[2- (Triethylsilyl) ethynyl]benzenemethanol
PC1008530-01	α-Methyl-α-[2-[4- (trifluoromethyl) phenyl]ethynyl]benzenemethanol
OR1082531-01	α-[2-[4- (1,1-Dimethylethyl) phenyl]ethynyl]benzenemethanol
PC1022293-01	3-Fluoro-α-[2- (trimethylsilyl) ethynyl]benzenemethanol
PC1010252-01	2-Fluoro-α-[2- (trimethylsilyl) ethynyl]benzenemethanol

Catalog	Name
abx186320-01	4-Ethynyl-benzenemethanol
TRC-E052310-1G	4-ethynyl-alpha,alpha-diphenyl-Benzenemethanol
002068	2-Amino-5-chloro-α- (cyclopropyl-d4-ethynyl) -4-isopropylsilyloxy-α- (trifluoromethyl) benzenemethanol
TRC-M331280-1G	4-(Methylthio)benzenemethanol
WGA62329-01	4-Cyclopentyl-benzenemethanol
429625-01	4- (Methylthio) benzenemethanol
TRC-A445030-100MG	2-Amino-5-chloro-alpha-ethynyl-alpha-(trifluoromethyl)benzenemethanol
MBS6070268-01	2-Amino-5-chloro-alpha-(cyclopropyl-d4-ethynyl)-4-isopropylsilyloxy-alpha-(trifluoromethyl)benzenemethanol
432223-01	4-Ethynyl-morpholine
NEC38215-01	4-Ethynyl-4-methyloxane