Home Other Building Blocks 3-(adamantan-1-yl)but-2-enoic acid

3-(adamantan-1-yl)but-2-enoic acid

CAS No.:
7131-20-6
Catalog Number:
AG019XM1
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
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Product Description
Catalog Number:
AG019XM1
Chemical Name:
3-(adamantan-1-yl)but-2-enoic acid
CAS Number:
7131-20-6
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
IUPAC Name:
3-(1-adamantyl)but-2-enoic acid
InChI:
InChI=1S/C14H20O2/c1-9(2-13(15)16)14-6-10-3-11(7-14)5-12(4-10)8-14/h2,10-12H,3-8H2,1H3,(H,15,16)
InChI Key:
WAUDIYIPJOHERP-UHFFFAOYSA-N
SMILES:
CC(=CC(=O)O)C12CC3CC(C2)CC(C1)C3
Properties
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.146g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.312g/mol
Monoisotopic Mass:
220.146g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
4.3  
Properties