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121601-93-2 | 2-Propenoic acid, tricyclo[3.3.1.13,7]dec-1-yl ester
CAS No: 121601-93-2 Catalog No: AG0015DL MDL No:MFCD18072700
Product Description
Catalog Number:
AG0015DL
Chemical Name:
2-Propenoic acid, tricyclo[3.3.1.13,7]dec-1-yl ester
CAS Number:
121601-93-2
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
MDL Number:
MFCD18072700
IUPAC Name:
1-adamantyl prop-2-enoate
InChI:
InChI=1S/C13H18O2/c1-2-12(14)15-13-6-9-3-10(7-13)5-11(4-9)8-13/h2,9-11H,1,3-8H2
InChI Key:
PHPRWKJDGHSJMI-UHFFFAOYSA-N
SMILES:
C=CC(=O)OC12CC3CC(C2)CC(C1)C3
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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