Home Other Building Blocks propan-2-yl 4-hydroxy-2,2-dimethylbutanoate

propan-2-yl 4-hydroxy-2,2-dimethylbutanoate

CAS No.:
1803604-64-9
Catalog Number:
AG01BAJU
Molecular Formula:
C9H18O3
Molecular Weight:
174.2374
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Product Description
Catalog Number:
AG01BAJU
Chemical Name:
propan-2-yl 4-hydroxy-2,2-dimethylbutanoate
CAS Number:
1803604-64-9
Molecular Formula:
C9H18O3
Molecular Weight:
174.2374
MDL Number:
MFCD28397673
IUPAC Name:
propan-2-yl 4-hydroxy-2,2-dimethylbutanoate
InChI:
InChI=1S/C9H18O3/c1-7(2)12-8(11)9(3,4)5-6-10/h7,10H,5-6H2,1-4H3
InChI Key:
UNEVQPDIKBMDRY-UHFFFAOYSA-N
SMILES:
OCCC(C(=O)OC(C)C)(C)C
Properties
Complexity:
150  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties