3- (2-cyclopropylethynyl) -Benzaldehyde

CAT: 0127-OR1082016-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1082016-01Size:250 mg

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CAS Number

1283596-53-1

MDL Number

MFCD30485604

Purity

97%

Smiles

C (#CC1CC1) c1cc (C=O) ccc1

Chemical Information

Benzaldehyde, 3-(2-cyclopropylethynyl)-

CAS Number	1283596-53-1
PubChem CID	122242649
IUPAC Name	3-(2-cyclopropylethynyl)benzaldehyde
Molecular Formula	C12H10O
Molecular Weight	170.21
XLogP	2.7
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	251

SMILES

C1CC1C#CC2=CC=CC(=C2)C=O

InChI

InChI=1S/C12H10O/c13-9-12-3-1-2-11(8-12)7-6-10-4-5-10/h1-3,8-10H,4-5H2

InChIKey

WRRCXRGDIACKNC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1283596-53-1

CID: 122242649

Formula: C12H10O

MW: 170.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.21
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	170.073164938
Monoisotopic Mass	170.073164938
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	251
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
OR1037740	Methyl 2- (cyclopropylethynyl) benzoate
OR1088649-01	1- (2-Cyclopropylethynyl) cyclopentanol
OR1027767-01	2- (Cyclopropylethynyl) Benzoic Acid
OR9948	(Cyclopropylethynyl) trimethylsilane
OR1101055	4- (2-Cyclopropylethynyl) -2-methylbenzoic acid
OR1093424-01	3- (2-ethoxyethoxy) benzaldehyde
OR1066603-01	3- (2-Methoxyphenoxy) benzaldehyde
OR946448-01	3- (2-Methoxyethoxy) benzaldehyde
PC1010307-01	3- (2-Fluoroethoxy) benzaldehyde
OR1094215-01	3- (2-methoxyethyl) benzaldehyde

Catalog	Name
1031160 500	2-Chloro Benzaldehyde (o-Chloro benzaldehyde)
GEA02070-01	2- (Methoxymethyl) benzaldehyde
UCA90600-01	2- (Ethylamino) benzaldehyde
418414-01	2-Iodo-benzaldehyde
414284-01	2- (Methoxymethoxy) -benzaldehyde
288153-01	2- (Phenylthio) Benzaldehyde
RG-T180968-01	2- (Trifluoromethyl) Benzaldehyde
sc-223277	2- (Trifluoromethoxy) benzaldehyde
sc-256030A	2- (Phenoxymethyl) benzaldehyde
TRC-B411008-25G	2-(Benzyloxy)benzaldehyde