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1732-08-7 | Heptanedioic acid, 1,7-dimethyl ester
CAS No: 1732-08-7 Catalog No: AG001YPJ MDL No:MFCD00008470
Product Description
Catalog Number:
AG001YPJ
Chemical Name:
Heptanedioic acid, 1,7-dimethyl ester
CAS Number:
1732-08-7
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
MDL Number:
MFCD00008470
IUPAC Name:
dimethyl heptanedioate
InChI:
InChI=1S/C9H16O4/c1-12-8(10)6-4-3-5-7-9(11)13-2/h3-7H2,1-2H3
InChI Key:
SHWINQXIGSEZAP-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCC(=O)OC
EC Number:
217-057-4
UNII:
GE1PF3049F
NSC Number:
52563
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.223g/mol
Monoisotopic Mass:
188.105g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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