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42501-29-1 | (3-Chloro-adamantan-1-yl)-acetic acid
CAS No: 42501-29-1 Catalog No: AG01FO7T MDL No:
Product Description
Catalog Number:
AG01FO7T
Chemical Name:
(3-Chloro-adamantan-1-yl)-acetic acid
CAS Number:
42501-29-1
IUPAC Name:
2-(3-chloro-1-adamantyl)acetic acid
InChI:
InChI=1S/C12H17ClO2/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:
JLHRDMZSPPRYGL-UHFFFAOYSA-N
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.092g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.716g/mol
Monoisotopic Mass:
228.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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