Home Aldehydes 3-Ethynylbenzaldehyde

3-Ethynylbenzaldehyde

CAS No.:
77123-56-9
Catalog Number:
AG003JET
Molecular Formula:
C9H6O
Molecular Weight:
130.1433
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$69
- +
1g
98%
In Stock USA
United States
$144
- +
5g
98%
In Stock USA
United States
$363
- +
Product Description
Catalog Number:
AG003JET
Chemical Name:
3-Ethynylbenzaldehyde
CAS Number:
77123-56-9
Molecular Formula:
C9H6O
Molecular Weight:
130.1433
MDL Number:
MFCD06245349
IUPAC Name:
3-ethynylbenzaldehyde
InChI:
InChI=1S/C9H6O/c1-2-8-4-3-5-9(6-8)7-10/h1,3-7H
InChI Key:
IGIUWNVGCVCNPV-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)C#C
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.042g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.146g/mol
Monoisotopic Mass:
130.042g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties