Home Other Building Blocks Tricyclo[3.3.1.13,7]decane-1-acetic acid, 3,5-dimethyl-

Tricyclo[3.3.1.13,7]decane-1-acetic acid, 3,5-dimethyl-

CAS No.:
14202-14-3
Catalog Number:
AG001HKS
Molecular Formula:
C14H22O2
Molecular Weight:
222.3233
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Product Description
Catalog Number:
AG001HKS
Chemical Name:
Tricyclo[3.3.1.13,7]decane-1-acetic acid, 3,5-dimethyl-
CAS Number:
14202-14-3
Molecular Formula:
C14H22O2
Molecular Weight:
222.3233
MDL Number:
MFCD00077207
IUPAC Name:
2-(3,5-dimethyl-1-adamantyl)acetic acid
InChI:
InChI=1S/C14H22O2/c1-12-3-10-4-13(2,7-12)9-14(5-10,8-12)6-11(15)16/h10H,3-9H2,1-2H3,(H,15,16)
InChI Key:
FUOXJVUIQUYDDI-UHFFFAOYSA-N
SMILES:
OC(=O)CC12CC3CC(C2)(CC(C1)(C3)C)C
Properties
Complexity:
329  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.162g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.328g/mol
Monoisotopic Mass:
222.162g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties