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14670-95-2 | Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 3-bromo-5-methyl-
CAS No: 14670-95-2 Catalog No: AG001E94 MDL No:MFCD00218941
Product Description
Catalog Number:
AG001E94
Chemical Name:
Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 3-bromo-5-methyl-
CAS Number:
14670-95-2
Molecular Formula:
C12H17BrO2
Molecular Weight:
273.1662
MDL Number:
MFCD00218941
IUPAC Name:
3-bromo-5-methyladamantane-1-carboxylic acid
InChI:
InChI=1S/C12H17BrO2/c1-10-2-8-3-11(5-10,9(14)15)7-12(13,4-8)6-10/h8H,2-7H2,1H3,(H,14,15)
InChI Key:
AQYMJKFAOHCXOD-UHFFFAOYSA-N
SMILES:
OC(=O)C12CC3CC(C1)(C)CC(C2)(C3)Br
NSC Number:
143959
Properties
Complexity:
343
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:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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