Home Carboxys 1-(prop-2-yn-1-yl)cyclohex-3-ene-1-carboxylic acid

1-(prop-2-yn-1-yl)cyclohex-3-ene-1-carboxylic acid

CAS No.:
1936088-43-5
Catalog Number:
AG01DW4E
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
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Product Description
Catalog Number:
AG01DW4E
Chemical Name:
1-(prop-2-yn-1-yl)cyclohex-3-ene-1-carboxylic acid
CAS Number:
1936088-43-5
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD31559792
IUPAC Name:
1-prop-2-ynylcyclohex-3-ene-1-carboxylic acid
InChI:
InChI=1S/C10H12O2/c1-2-6-10(9(11)12)7-4-3-5-8-10/h1,3-4H,5-8H2,(H,11,12)
InChI Key:
AJXCJIXMQOYAFT-UHFFFAOYSA-N
SMILES:
C#CCC1(CCC=CC1)C(=O)O
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties