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24556-16-9 | Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 1-methylethyl ester
CAS No: 24556-16-9 Catalog No: AG002OJR MDL No:MFCD00193926
Product Description
Catalog Number:
AG002OJR
Chemical Name:
Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 1-methylethyl ester
CAS Number:
24556-16-9
Molecular Formula:
C14H22O2
Molecular Weight:
222.3233
MDL Number:
MFCD00193926
IUPAC Name:
propan-2-yl adamantane-1-carboxylate
InChI:
InChI=1S/C14H22O2/c1-9(2)16-13(15)14-6-10-3-11(7-14)5-12(4-10)8-14/h9-12H,3-8H2,1-2H3
InChI Key:
PHSXMXGYVSYRPF-UHFFFAOYSA-N
SMILES:
CC(OC(=O)C12CC3CC(C2)CC(C1)C3)C
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.162g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.328g/mol
Monoisotopic Mass:
222.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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