Home Other Building Blocks 2-(hydroxymethyl)-2-methylbutanoic acid

2-(hydroxymethyl)-2-methylbutanoic acid

CAS No.:
6922-55-0
Catalog Number:
AG01C1YP
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
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Product Description
Catalog Number:
AG01C1YP
Chemical Name:
2-(hydroxymethyl)-2-methylbutanoic acid
CAS Number:
6922-55-0
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
MDL Number:
MFCD19228612
IUPAC Name:
2-(hydroxymethyl)-2-methylbutanoic acid
InChI:
InChI=1S/C6H12O3/c1-3-6(2,4-7)5(8)9/h7H,3-4H2,1-2H3,(H,8,9)
InChI Key:
XSEPYPDPHNTXBX-UHFFFAOYSA-N
SMILES:
CCC(C(=O)O)(CO)C
Properties
Complexity:
111  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.079g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
132.159g/mol
Monoisotopic Mass:
132.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties