Home Other Building Blocks methyl 3-oxo-2-(propan-2-yl)pentanoate

methyl 3-oxo-2-(propan-2-yl)pentanoate

CAS No.:
1248205-88-0
Catalog Number:
AG01A64Q
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
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Product Description
Catalog Number:
AG01A64Q
Chemical Name:
methyl 3-oxo-2-(propan-2-yl)pentanoate
CAS Number:
1248205-88-0
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
MDL Number:
MFCD16077045
IUPAC Name:
methyl 3-oxo-2-propan-2-ylpentanoate
InChI:
InChI=1S/C9H16O3/c1-5-7(10)8(6(2)3)9(11)12-4/h6,8H,5H2,1-4H3
InChI Key:
RKCXVGAMCLHQOP-UHFFFAOYSA-N
SMILES:
CCC(=O)C(C(=O)OC)C(C)C
Properties
Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties