1-Ethynylcyclopropane carboxylic acid


Chemical Name: 1-Ethynylcyclopropane carboxylic acid
CAS Number: 933755-97-6
Product Number: AG00IHLC(AGN-PC-0WAKYI)
Synonyms:
MDL No:
Molecular Formula: C6H6O2
Molecular Weight: 110.1106

Identification/Properties


Computed Properties
Molecular Weight:
110.112g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
110.037g/mol
Monoisotopic Mass:
110.037g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
168
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

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NMR Spectrum


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