Home Carbonyls 2-(ethoxycarbonyl)-3,3-dimethylbutanoic acid

2-(ethoxycarbonyl)-3,3-dimethylbutanoic acid

CAS No.:
83096-36-0
Catalog Number:
AG00G8TJ
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
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Product Description
Catalog Number:
AG00G8TJ
Chemical Name:
2-(ethoxycarbonyl)-3,3-dimethylbutanoic acid
CAS Number:
83096-36-0
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
MDL Number:
MFCD20638324
IUPAC Name:
2-ethoxycarbonyl-3,3-dimethylbutanoic acid
InChI:
InChI=1S/C9H16O4/c1-5-13-8(12)6(7(10)11)9(2,3)4/h6H,5H2,1-4H3,(H,10,11)
InChI Key:
DBUFLUUYBYPRDP-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(C)(C)C)C(=O)O
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.105g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.223g/mol
Monoisotopic Mass:
188.105g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties