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126164-69-0 | Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 3-[4-(acetyloxy)phenyl]-
CAS No: 126164-69-0 Catalog No: AG000RX1 MDL No:
Product Description
Catalog Number:
AG000RX1
Chemical Name:
Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 3-[4-(acetyloxy)phenyl]-
CAS Number:
126164-69-0
Molecular Formula:
C19H22O4
Molecular Weight:
314.3756
IUPAC Name:
3-(4-acetyloxyphenyl)adamantane-1-carboxylic acid
InChI:
InChI=1S/C19H22O4/c1-12(20)23-16-4-2-15(3-5-16)18-7-13-6-14(8-18)10-19(9-13,11-18)17(21)22/h2-5,13-14H,6-11H2,1H3,(H,21,22)
InChI Key:
OKQMIIAVSFZFNN-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(cc1)C12CC3CC(C1)CC(C2)(C3)C(=O)O
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.152g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.381g/mol
Monoisotopic Mass:
314.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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