Home Other Building Blocks 1,5-dimethyl 2-acetylpentanedioate

1,5-dimethyl 2-acetylpentanedioate

CAS No.:
116981-01-2
Catalog Number:
AG01AGJQ
Molecular Formula:
C9H14O5
Molecular Weight:
202.2045
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Product Description
Catalog Number:
AG01AGJQ
Chemical Name:
1,5-dimethyl 2-acetylpentanedioate
CAS Number:
116981-01-2
Molecular Formula:
C9H14O5
Molecular Weight:
202.2045
MDL Number:
MFCD00025870
IUPAC Name:
dimethyl 2-acetylpentanedioate
InChI:
InChI=1S/C9H14O5/c1-6(10)7(9(12)14-3)4-5-8(11)13-2/h7H,4-5H2,1-3H3
InChI Key:
NAGJUTYGIQTFNJ-UHFFFAOYSA-N
SMILES:
COC(=O)CCC(C(=O)OC)C(=O)C
NSC Number:
614308
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.084g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.206g/mol
Monoisotopic Mass:
202.084g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties