Home Other Building Blocks 1,4-dimethyl 2-hydroxy-2-methylbutanedioate

1,4-dimethyl 2-hydroxy-2-methylbutanedioate

CAS No.:
19020-62-3
Catalog Number:
AG01EMLB
Molecular Formula:
C7H12O5
Molecular Weight:
176.1672
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Product Description
Catalog Number:
AG01EMLB
Chemical Name:
1,4-dimethyl 2-hydroxy-2-methylbutanedioate
CAS Number:
19020-62-3
Molecular Formula:
C7H12O5
Molecular Weight:
176.1672
MDL Number:
MFCD25962991
IUPAC Name:
dimethyl 2-hydroxy-2-methylbutanedioate
InChI:
InChI=1S/C7H12O5/c1-7(10,6(9)12-3)4-5(8)11-2/h10H,4H2,1-3H3
InChI Key:
GMSSNUSBKDUVFC-UHFFFAOYSA-N
SMILES:
COC(=O)CC(C(=O)OC)(O)C
Properties
Complexity:
188  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
176.168g/mol
Monoisotopic Mass:
176.068g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties