Home Other Building Blocks 2-(hydroxymethyl)-3,3-dimethylbutanoic acid

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

CAS No.:
51439-23-7
Catalog Number:
AG01ACP7
Molecular Formula:
C7H14O3
Molecular Weight:
146.1843
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Product Description
Catalog Number:
AG01ACP7
Chemical Name:
2-(hydroxymethyl)-3,3-dimethylbutanoic acid
CAS Number:
51439-23-7
Molecular Formula:
C7H14O3
Molecular Weight:
146.1843
MDL Number:
MFCD19231823
IUPAC Name:
2-(hydroxymethyl)-3,3-dimethylbutanoic acid
InChI:
InChI=1S/C7H14O3/c1-7(2,3)5(4-8)6(9)10/h5,8H,4H2,1-3H3,(H,9,10)
InChI Key:
NOXMGVWXKGFZHA-UHFFFAOYSA-N
SMILES:
OCC(C(C)(C)C)C(=O)O
Properties
Complexity:
123  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.094g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
146.186g/mol
Monoisotopic Mass:
146.094g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties