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16093-53-1 | Butanedioic acid, 1,4-bis(3-methylphenyl) ester
CAS No: 16093-53-1 Catalog No: AG001VHY MDL No:
Product Description
Catalog Number:
AG001VHY
Chemical Name:
Butanedioic acid, 1,4-bis(3-methylphenyl) ester
CAS Number:
16093-53-1
Molecular Formula:
C18H18O4
Molecular Weight:
298.3331
IUPAC Name:
bis(3-methylphenyl) butanedioate
InChI:
InChI=1S/C18H18O4/c1-13-5-3-7-15(11-13)21-17(19)9-10-18(20)22-16-8-4-6-14(2)12-16/h3-8,11-12H,9-10H2,1-2H3
InChI Key:
PSRQFUJXZZJLJW-UHFFFAOYSA-N
SMILES:
O=C(Oc1cccc(c1)C)CCC(=O)Oc1cccc(c1)C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.338g/mol
Monoisotopic Mass:
298.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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