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113380-54-4 | Heptanedioic acid, 1,7-bis(4-formylphenyl) ester
CAS No: 113380-54-4 Catalog No: AG0008D8 MDL No:
Product Description
Catalog Number:
AG0008D8
Chemical Name:
Heptanedioic acid, 1,7-bis(4-formylphenyl) ester
CAS Number:
113380-54-4
Molecular Formula:
C21H20O6
Molecular Weight:
368.3799
IUPAC Name:
bis(4-formylphenyl) heptanedioate
InChI:
InChI=1S/C21H20O6/c22-14-16-6-10-18(11-7-16)26-20(24)4-2-1-3-5-21(25)27-19-12-8-17(15-23)9-13-19/h6-15H,1-5H2
InChI Key:
DQAMRWBFIWELFN-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OC(=O)CCCCCC(=O)Oc1ccc(cc1)C=O
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.126g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.385g/mol
Monoisotopic Mass:
368.126g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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