Home Other Building Blocks 3-(adamantan-1-yl)prop-2-ynoic acid

3-(adamantan-1-yl)prop-2-ynoic acid

CAS No.:
106386-45-2
Catalog Number:
AG01DX9N
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
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Product Description
Catalog Number:
AG01DX9N
Chemical Name:
3-(adamantan-1-yl)prop-2-ynoic acid
CAS Number:
106386-45-2
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
MDL Number:
MFCD01831609
IUPAC Name:
3-(1-adamantyl)prop-2-ynoic acid
InChI:
InChI=1S/C13H16O2/c14-12(15)1-2-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,3-8H2,(H,14,15)
InChI Key:
NLHRGHCCCHUIHM-UHFFFAOYSA-N
SMILES:
OC(=O)C#CC12CC3CC(C2)CC(C1)C3
Properties
Complexity:
327  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties