Home Carboxys 1-(prop-2-yn-1-yl)cyclohexane-1-carboxylic acid

1-(prop-2-yn-1-yl)cyclohexane-1-carboxylic acid

CAS No.:
72335-52-5
Catalog Number:
AG01B1E6
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
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Product Description
Catalog Number:
AG01B1E6
Chemical Name:
1-(prop-2-yn-1-yl)cyclohexane-1-carboxylic acid
CAS Number:
72335-52-5
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
MDL Number:
MFCD07787016
IUPAC Name:
1-prop-2-ynylcyclohexane-1-carboxylic acid
InChI:
InChI=1S/C10H14O2/c1-2-6-10(9(11)12)7-4-3-5-8-10/h1H,3-8H2,(H,11,12)
InChI Key:
YGRMINYKFUISMH-UHFFFAOYSA-N
SMILES:
C#CCC1(CCCCC1)C(=O)O
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties