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17768-36-4

17768-36-4 | Tricyclo[3.3.1.13,7]decane-1-acetic acid, 3-hydroxy-

CAS No: 17768-36-4 Catalog No: AG0025G7 MDL No:MFCD00167797

Product Description

Catalog Number:
AG0025G7
Chemical Name:
Tricyclo[3.3.1.13,7]decane-1-acetic acid, 3-hydroxy-
CAS Number:
17768-36-4
Molecular Formula:
C12H18O3
Molecular Weight:
210.2695
MDL Number:
MFCD00167797
IUPAC Name:
2-(3-hydroxy-1-adamantyl)acetic acid
InChI:
InChI=1S/C12H18O3/c13-10(14)6-11-2-8-1-9(3-11)5-12(15,4-8)7-11/h8-9,15H,1-7H2,(H,13,14)
InChI Key:
JFMDWSCOQLUOCZ-UHFFFAOYSA-N
SMILES:
OC(=O)CC12CC3CC(C1)CC(C2)(C3)O
NSC Number:
252898

Properties

Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.126g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
210.273g/mol
Monoisotopic Mass:
210.126g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Literature

Title Journal
3-Hydroxy-adamantane-1-acetic acid. Acta crystallographica. Section E, Structure reports online 20080901

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