Home Carboxys 1-Ethynylcyclopropane carboxylic acid

1-Ethynylcyclopropane carboxylic acid

CAS No.:
933755-97-6
Catalog Number:
AG00IHLC
Molecular Formula:
C6H6O2
Molecular Weight:
110.1106
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Product Description
Catalog Number:
AG00IHLC
Chemical Name:
1-Ethynylcyclopropane carboxylic acid
CAS Number:
933755-97-6
Molecular Formula:
C6H6O2
Molecular Weight:
110.1106
MDL Number:
MFCD19231569
IUPAC Name:
1-ethynylcyclopropane-1-carboxylic acid
InChI:
InChI=1S/C6H6O2/c1-2-6(3-4-6)5(7)8/h1H,3-4H2,(H,7,8)
InChI Key:
XDVAOWPOJWYAHA-UHFFFAOYSA-N
SMILES:
C#CC1(CC1)C(=O)O
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.037g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
110.112g/mol
Monoisotopic Mass:
110.037g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties