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177080-67-0 | 2-Propenoic acid, 2-methyl-, 2-methyltricyclo[3.3.1.13,7]dec-2-yl ester
CAS No: 177080-67-0 Catalog No: AG00253Q MDL No:MFCD04114354
Product Description
Catalog Number:
AG00253Q
Chemical Name:
2-Propenoic acid, 2-methyl-, 2-methyltricyclo[3.3.1.13,7]dec-2-yl ester
CAS Number:
177080-67-0
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
MDL Number:
MFCD04114354
IUPAC Name:
(2-methyl-2-adamantyl) 2-methylprop-2-enoate
InChI:
InChI=1S/C15H22O2/c1-9(2)14(16)17-15(3)12-5-10-4-11(7-12)8-13(15)6-10/h10-13H,1,4-8H2,2-3H3
InChI Key:
FDYDISGSYGFRJM-UHFFFAOYSA-N
SMILES:
O=C(C(=C)C)OC1(C)C2CC3CC1CC(C2)C3
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.339g/mol
Monoisotopic Mass:
234.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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