Home Carbonyls 2-[1-(ethoxycarbonyl)cyclobutyl]acetic acid

2-[1-(ethoxycarbonyl)cyclobutyl]acetic acid

CAS No.:
345633-14-9
Catalog Number:
AG019Y9X
Molecular Formula:
C9H14O4
Molecular Weight:
186.2051
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Product Description
Catalog Number:
AG019Y9X
Chemical Name:
2-[1-(ethoxycarbonyl)cyclobutyl]acetic acid
CAS Number:
345633-14-9
Molecular Formula:
C9H14O4
Molecular Weight:
186.2051
MDL Number:
MFCD20660713
IUPAC Name:
2-(1-ethoxycarbonylcyclobutyl)acetic acid
InChI:
InChI=1S/C9H14O4/c1-2-13-8(12)9(4-3-5-9)6-7(10)11/h2-6H2,1H3,(H,10,11)
InChI Key:
MPGWAENNQRIXRW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CCC1)CC(=O)O
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.089g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.207g/mol
Monoisotopic Mass:
186.089g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties