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6246-41-9 | "3-Hydroxy-4,7,7-trimethyl-bicyclo[2.2.1]heptane-2-carboxylic acid"
CAS No: 6246-41-9 Catalog No: AG01FN5R MDL No:MFCD01111358
Product Description
Catalog Number:
AG01FN5R
Chemical Name:
"3-Hydroxy-4,7,7-trimethyl-bicyclo[2.2.1]heptane-2-carboxylic acid"
CAS Number:
6246-41-9
Molecular Formula:
C11H18O3
Molecular Weight:
198.2588
MDL Number:
MFCD01111358
IUPAC Name:
3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid
InChI:
InChI=1S/C11H18O3/c1-10(2)6-4-5-11(10,3)8(12)7(6)9(13)14/h6-8,12H,4-5H2,1-3H3,(H,13,14)
InChI Key:
GQGMGCVFWBFOAZ-UHFFFAOYSA-N
SMILES:
OC(=O)C1C(O)C2(C(C1CC2)(C)C)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.262g/mol
Monoisotopic Mass:
198.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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