Home Carbonyls 2-(ethoxycarbonyl)butanoic acid

2-(ethoxycarbonyl)butanoic acid

CAS No.:
2985-34-4
Catalog Number:
AG01BEQK
Molecular Formula:
C7H12O4
Molecular Weight:
160.1678
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Product Description
Catalog Number:
AG01BEQK
Chemical Name:
2-(ethoxycarbonyl)butanoic acid
CAS Number:
2985-34-4
Molecular Formula:
C7H12O4
Molecular Weight:
160.1678
MDL Number:
MFCD19301131
IUPAC Name:
2-ethoxycarbonylbutanoic acid
InChI:
InChI=1S/C7H12O4/c1-3-5(6(8)9)7(10)11-4-2/h5H,3-4H2,1-2H3,(H,8,9)
InChI Key:
VNDPUMWYEFWECV-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)O)CC
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.074g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.169g/mol
Monoisotopic Mass:
160.074g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties