Home Other Building Blocks 4-cyclopropylbutanoic acid

4-cyclopropylbutanoic acid

CAS No.:
5687-84-3
Catalog Number:
AG01AKKW
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
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Product Description
Catalog Number:
AG01AKKW
Chemical Name:
4-cyclopropylbutanoic acid
CAS Number:
5687-84-3
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
MDL Number:
MFCD19096839
IUPAC Name:
4-cyclopropylbutanoic acid
InChI:
InChI=1S/C7H12O2/c8-7(9)3-1-2-6-4-5-6/h6H,1-5H2,(H,8,9)
InChI Key:
QTFPLPYKIHFSLC-UHFFFAOYSA-N
SMILES:
OC(=O)CCCC1CC1
Properties
Complexity:
106  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties