Home Other Building Blocks 3-hydroxy-2,2-dimethylpentanedioic acid

3-hydroxy-2,2-dimethylpentanedioic acid

CAS No.:
927895-14-5
Catalog Number:
AG01AG8O
Molecular Formula:
C7H12O5
Molecular Weight:
176.1672
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Product Description
Catalog Number:
AG01AG8O
Chemical Name:
3-hydroxy-2,2-dimethylpentanedioic acid
CAS Number:
927895-14-5
Molecular Formula:
C7H12O5
Molecular Weight:
176.1672
MDL Number:
MFCD20639401
IUPAC Name:
3-hydroxy-2,2-dimethylpentanedioic acid
InChI:
InChI=1S/C7H12O5/c1-7(2,6(11)12)4(8)3-5(9)10/h4,8H,3H2,1-2H3,(H,9,10)(H,11,12)
InChI Key:
CKQZCHBLZBPVRZ-UHFFFAOYSA-N
SMILES:
OC(=O)CC(C(C(=O)O)(C)C)O
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.068g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
176.168g/mol
Monoisotopic Mass:
176.068g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties