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124956-89-4 | Propanedioic acid, 2-heptylidene-, 1,3-dimethyl ester
CAS No: 124956-89-4 Catalog No: AG000MXF MDL No:
Product Description
Catalog Number:
AG000MXF
Chemical Name:
Propanedioic acid, 2-heptylidene-, 1,3-dimethyl ester
CAS Number:
124956-89-4
Molecular Formula:
C12H20O4
Molecular Weight:
228.2848
IUPAC Name:
dimethyl 2-heptylidenepropanedioate
InChI:
InChI=1S/C12H20O4/c1-4-5-6-7-8-9-10(11(13)15-2)12(14)16-3/h9H,4-8H2,1-3H3
InChI Key:
SCYKHSKEHBXKBS-UHFFFAOYSA-N
SMILES:
CCCCCCC=C(C(=O)OC)C(=O)OC
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.288g/mol
Monoisotopic Mass:
228.136g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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