Home Other Building Blocks methyl 2-hydroxy-5,5-dimethylhexanoate

methyl 2-hydroxy-5,5-dimethylhexanoate

CAS No.:
1488689-39-9
Catalog Number:
AG01B88Y
Molecular Formula:
C9H18O3
Molecular Weight:
174.2374
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01B88Y
Chemical Name:
methyl 2-hydroxy-5,5-dimethylhexanoate
CAS Number:
1488689-39-9
Molecular Formula:
C9H18O3
Molecular Weight:
174.2374
MDL Number:
MFCD21331200
IUPAC Name:
methyl 2-hydroxy-5,5-dimethylhexanoate
InChI:
InChI=1S/C9H18O3/c1-9(2,3)6-5-7(10)8(11)12-4/h7,10H,5-6H2,1-4H3
InChI Key:
PLSMJQZHVGPMOP-UHFFFAOYSA-N
SMILES:
COC(=O)C(CCC(C)(C)C)O
Properties
Complexity:
146  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.126g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
174.24g/mol
Monoisotopic Mass:
174.126g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties