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1019842-26-2 | Cyclobutanepentanoic acid, 3-oxo-, ethyl ester
CAS No: 1019842-26-2 Catalog No: AG00065S MDL No:MFCD23135412
Product Description
Catalog Number:
AG00065S
Chemical Name:
Cyclobutanepentanoic acid, 3-oxo-, ethyl ester
CAS Number:
1019842-26-2
Molecular Formula:
C11H18O3
Molecular Weight:
198.2588
MDL Number:
MFCD23135412
IUPAC Name:
ethyl 5-(3-oxocyclobutyl)pentanoate
InChI:
InChI=1S/C11H18O3/c1-2-14-11(13)6-4-3-5-9-7-10(12)8-9/h9H,2-8H2,1H3
InChI Key:
IHJRHQKNFSPYRT-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCC1CC(=O)C1
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.262g/mol
Monoisotopic Mass:
198.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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