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17768-34-2 | Tricyclo[3.3.1.13,7]decane-1-acetic acid, 3-bromo-
CAS No: 17768-34-2 Catalog No: AG0025G8 MDL No:MFCD00154387
Product Description
Catalog Number:
AG0025G8
Chemical Name:
Tricyclo[3.3.1.13,7]decane-1-acetic acid, 3-bromo-
CAS Number:
17768-34-2
Molecular Formula:
C12H17BrO2
Molecular Weight:
273.1662
MDL Number:
MFCD00154387
IUPAC Name:
2-(3-bromo-1-adamantyl)acetic acid
InChI:
InChI=1S/C12H17BrO2/c13-12-4-8-1-9(5-12)3-11(2-8,7-12)6-10(14)15/h8-9H,1-7H2,(H,14,15)
InChI Key:
HFGLWCBEPPFDDJ-UHFFFAOYSA-N
SMILES:
OC(=O)CC12CC3CC(C1)CC(C2)(C3)Br
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.17g/mol
Monoisotopic Mass:
272.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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