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126164-66-7 | Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 3-(4-hydroxyphenyl)-, methyl ester
CAS No: 126164-66-7 Catalog No: AG000RX3 MDL No:
Product Description
Catalog Number:
AG000RX3
Chemical Name:
Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 3-(4-hydroxyphenyl)-, methyl ester
CAS Number:
126164-66-7
Molecular Formula:
C18H22O3
Molecular Weight:
286.3655
IUPAC Name:
methyl 3-(4-hydroxyphenyl)adamantane-1-carboxylate
InChI:
InChI=1S/C18H22O3/c1-21-16(20)18-9-12-6-13(10-18)8-17(7-12,11-18)14-2-4-15(19)5-3-14/h2-5,12-13,19H,6-11H2,1H3
InChI Key:
ACUWZNKUALBCHV-UHFFFAOYSA-N
SMILES:
COC(=O)C12CC3CC(C1)CC(C2)(C3)c1ccc(cc1)O
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.157g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.371g/mol
Monoisotopic Mass:
286.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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