2- (3-Hydroxyprop-1-ynyl) benzonitrile

CAT: 0127-OR7437-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR7437-01Size:250 mg

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CAS Number

210884-99-4

MDL Number

MFCD04039091

Purity

=95%

Smiles

OCC#Cc1ccccc1C#N

Storage Conditions

Store at 2-8°C

Chemical Information

2-(3-Hydroxyprop-1-ynyl)benzonitrile

CAS Number	210884-99-4
PubChem CID	4127353
IUPAC Name	2-(3-hydroxyprop-1-ynyl)benzonitrile
Molecular Formula	C10H7NO
Molecular Weight	157.17
XLogP	1.4
Topological Polar Surface Area	44
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	249

SMILES

C1=CC=C(C(=C1)C#CCO)C#N

InChI

InChI=1S/C10H7NO/c11-8-10-5-2-1-4-9(10)6-3-7-12/h1-2,4-5,12H,7H2

InChIKey

ABSXJTJGIGJBOE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 210884-99-4

CID: 4127353

Formula: C10H7NO

MW: 157.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	157.17
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	157.052763847
Monoisotopic Mass	157.052763847
Topological Polar Surface Area	44 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	249
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
OR7438	3- (3-Hydroxyprop-1-ynyl) benzonitrile
OR7439-01	4- (3-Hydroxyprop-1-ynyl) benzonitrile
OR7433	3- (3-Hydroxyprop-1-ynyl) benzaldehyde
OR7434	4- (3-Hydroxyprop-1-ynyl) benzaldehyde
OR7435	3- (3-Hydroxyprop-1-ynyl) benzoic acid
OR1076128	1- (3-Hydroxyprop-1-ynyl) -4-chloroisoquinoline
OR7436	4- (3-Hydroxyprop-1-ynyl) benzoic acid
OR25606	4- (2-phenyleth-1-ynyl) benzonitrile
OR1076069	4-Bromo-1- (3-hydroxyprop-1-ynyl) isoquinoline
OR1076148	4- (3-Hydroxyprop-1-ynyl) thieno[3,2-c]pyridine

Catalog	Name
sc-259174	2- (3-Hydroxyprop-1-ynyl) benzonitrile
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JBD30581-01	3- (1-Aminocyclobutyl) benzonitrile hydrochloride
IKA52551-01	3-[ (1S) -1-Hydroxyethyl]benzonitrile
WMA19827-01	3- (Pyrrolidin-1-ylmethyl) benzonitrile
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