4-Pentynoic acid, 2-propyl-


Chemical Name: 4-Pentynoic acid, 2-propyl-
CAS Number: 24102-11-2
Product Number: AG00C4IF(AGN-PC-0JLJXN)
Synonyms:
MDL No: MFCD07780275
Molecular Formula: C8H12O2
Molecular Weight: 140.1797

Identification/Properties


Computed Properties
Molecular Weight:
140.182g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
140.084g/mol
Monoisotopic Mass:
140.084g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
152
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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