Home Other Building Blocks 2-(prop-2-yn-1-yl)pent-4-ynoic acid

2-(prop-2-yn-1-yl)pent-4-ynoic acid

CAS No.:
65994-70-9
Catalog Number:
AG01B1IK
Molecular Formula:
C8H8O2
Molecular Weight:
136.1479
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Product Description
Catalog Number:
AG01B1IK
Chemical Name:
2-(prop-2-yn-1-yl)pent-4-ynoic acid
CAS Number:
65994-70-9
Molecular Formula:
C8H8O2
Molecular Weight:
136.1479
MDL Number:
MFCD19228141
IUPAC Name:
2-prop-2-ynylpent-4-ynoic acid
InChI:
InChI=1S/C8H8O2/c1-3-5-7(6-4-2)8(9)10/h1-2,7H,5-6H2,(H,9,10)
InChI Key:
OPBSCMQIBMFTDY-UHFFFAOYSA-N
SMILES:
C#CCC(C(=O)O)CC#C
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.052g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
136.15g/mol
Monoisotopic Mass:
136.052g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties