Home Other Building Blocks Hexanedioic acid, 2-methyl-, 1,6-dimethyl ester

Hexanedioic acid, 2-methyl-, 1,6-dimethyl ester

CAS No.:
19780-94-0
Catalog Number:
AG002B1P
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
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Product Description
Catalog Number:
AG002B1P
Chemical Name:
Hexanedioic acid, 2-methyl-, 1,6-dimethyl ester
CAS Number:
19780-94-0
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
MDL Number:
MFCD00025877
IUPAC Name:
dimethyl 2-methylhexanedioate
InChI:
InChI=1S/C9H16O4/c1-7(9(11)13-3)5-4-6-8(10)12-2/h7H,4-6H2,1-3H3
InChI Key:
NWQGXNKQFIEUPY-UHFFFAOYSA-N
SMILES:
COC(=O)CCCC(C(=O)OC)C
Properties
Complexity:
177  
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:
7  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties