3-Prop-2-ynoxybenzaldehyde

CAT: 0127-OR945348-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR945348-01Size:250 mg

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CAS Number

5651-87-6

MDL Number

MFCD05625818

Purity

98%

Smiles

O=Cc1cccc(OCC#C)c1

Storage Conditions

Store at 2-8°C

Chemical Information

3-Prop-2-ynyloxy-benzaldehyde

CAS Number	5651-87-6
PubChem CID	3161242
IUPAC Name	3-prop-2-ynoxybenzaldehyde
Molecular Formula	C10H8O2
Molecular Weight	160.17
XLogP	1.9
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	189

SMILES

C#CCOC1=CC=CC(=C1)C=O

InChI

InChI=1S/C10H8O2/c1-2-6-12-10-5-3-4-9(7-10)8-11/h1,3-5,7-8H,6H2

InChIKey

CYAQTWGCPCRKJT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5651-87-6

CID: 3161242

Formula: C10H8O2

MW: 160.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	160.17
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	160.052429494
Monoisotopic Mass	160.052429494
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	189
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
OR33393-01	2-Prop-2-ynoxybenzaldehyde
OR15265-01	4-Prop-2-ynoxybenzaldehyde
OR919014-01	3- (Prop-2-ynyloxy) pyridine
OR1031264-01	3- (3- (Prop-2-yn-1-yloxy) -2,2-bis ((prop-2-yn-1-yloxy) methyl) propoxy) prop-1-yne
OR1003371-01	2- (Phenylsulfonyl) -3- (3-pyridyl) prop-2-enenitrile
OR1036124-01	3- (2-Chlorophenyl) prop-2-ynoic acid
OR52540	N- (2,3-Dihydroxypropyl) prop-2-enamide
PC110893-01	3- (2-Fluorophenyl) prop-2-ynoic acid
OR1037929-01	3- (2,2-Diethoxyethoxy) prop-1-yne
OR1033390-01	3- (2-Methylphenyl) prop-2-ynoic acid

Catalog	Name
ARB26112	2- (phenylsulfonyl) -3- (prop-2-ynylamino) prop-2-enenitrile
JH409893	(3-methyl-5-prop-2-enoyloxypentyl) prop-2-enoate
FP169547	3- (N-prop-2-ynylcarbamoyl) prop-2-enoic acid
ARB25993	Ethyl 2-nitrilo-3- (prop-2-ynylamino) prop-2-enoate
ZQB30896	2- (2,2-dimethylpropanoyl) -3,3-bis (prop-2-ynylamino) prop-2-enenitrile
EAA67274-01	Prop-2-ynoyl prop-2-ynoate
ARB63702	2- ((4-methylphenyl) sulfonyl) -3- (prop-2-ynylamino) prop-2-enenitrile
BG FA 1089-01	3-prop-2-ynoxypyrazine-2-carbonitrile
sc-313529	3-Prop-2-ynyloxy-benzaldehyde
BG FA 1091-01	3-prop-2-enoxypyrazine-2-carboxamide