Home Carboxys Cyclopentanecarboxylic acid, 3-oxo-, 1,1-dimethylethyl ester

Cyclopentanecarboxylic acid, 3-oxo-, 1,1-dimethylethyl ester

CAS No.:
174195-95-0
Catalog Number:
AG0079FR
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
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Product Description
Catalog Number:
AG0079FR
Chemical Name:
Cyclopentanecarboxylic acid, 3-oxo-, 1,1-dimethylethyl ester
CAS Number:
174195-95-0
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
MDL Number:
MFCD16293726
IUPAC Name:
tert-butyl 3-oxocyclopentane-1-carboxylate
InChI:
InChI=1S/C10H16O3/c1-10(2,3)13-9(12)7-4-5-8(11)6-7/h7H,4-6H2,1-3H3
InChI Key:
VWGRUBYATPOSGE-UHFFFAOYSA-N
SMILES:
O=C1CCC(C1)C(=O)OC(C)(C)C
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.11g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.235g/mol
Monoisotopic Mass:
184.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties