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113965-39-2 | Propanoic acid, 2,2-dimethyl-, 1-cyclopenten-1-ylmethyl ester
CAS No: 113965-39-2 Catalog No: AG000A6Q MDL No:
Product Description
Catalog Number:
AG000A6Q
Chemical Name:
Propanoic acid, 2,2-dimethyl-, 1-cyclopenten-1-ylmethyl ester
CAS Number:
113965-39-2
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
IUPAC Name:
cyclopenten-1-ylmethyl 2,2-dimethylpropanoate
InChI:
InChI=1S/C11H18O2/c1-11(2,3)10(12)13-8-9-6-4-5-7-9/h6H,4-5,7-8H2,1-3H3
InChI Key:
RIGUMCUVOOITSC-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)OCC1=CCCC1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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