ABzOH

CAT: 0127-BUP12403-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP12403-02Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1313028-09-9

Purity

=98%

Smiles

C(#CC1CC1)C2=C(C(O)=O)C=CC=C2

Chemical Information

2-(2-Cyclopropylethynyl)benzoic acid

CAS Number	1313028-09-9
PubChem CID	53329547
IUPAC Name	2-(2-cyclopropylethynyl)benzoic acid
Molecular Formula	C12H10O2
Molecular Weight	186.21
XLogP	3.4
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	290

SMILES

C1CC1C#CC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C12H10O2/c13-12(14)11-4-2-1-3-10(11)8-7-9-5-6-9/h1-4,9H,5-6H2,(H,13,14)

InChIKey

UCAPNHYQJXDWDX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1313028-09-9

CID: 53329547

Formula: C12H10O2

MW: 186.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.21
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	186.068079557
Monoisotopic Mass	186.068079557
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	290
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
T67924-01	ABzOH