Home Other Building Blocks 4-methylpent-2-ynoic acid

4-methylpent-2-ynoic acid

CAS No.:
65199-69-1
Catalog Number:
AG01ANFU
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
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Product Description
Catalog Number:
AG01ANFU
Chemical Name:
4-methylpent-2-ynoic acid
CAS Number:
65199-69-1
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
MDL Number:
MFCD12973971
IUPAC Name:
4-methylpent-2-ynoic acid
InChI:
InChI=1S/C6H8O2/c1-5(2)3-4-6(7)8/h5H,1-2H3,(H,7,8)
InChI Key:
RQIRASYNLSFTIG-UHFFFAOYSA-N
SMILES:
CC(C#CC(=O)O)C
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.052g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
112.128g/mol
Monoisotopic Mass:
112.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties