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15823-00-4 | Butanedioic acid, 2,3-bis[(4-methoxyphenyl)methylene]-
CAS No: 15823-00-4 Catalog No: AG001Q2E MDL No:
Product Description
Catalog Number:
AG001Q2E
Chemical Name:
Butanedioic acid, 2,3-bis[(4-methoxyphenyl)methylene]-
CAS Number:
15823-00-4
Molecular Formula:
C20H18O6
Molecular Weight:
354.3533
IUPAC Name:
2,3-bis[(4-methoxyphenyl)methylidene]butanedioic acid
InChI:
InChI=1S/C20H18O6/c1-25-15-7-3-13(4-8-15)11-17(19(21)22)18(20(23)24)12-14-5-9-16(26-2)10-6-14/h3-12H,1-2H3,(H,21,22)(H,23,24)
InChI Key:
FPUGPEJOUAEFPO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C=C(C(=Cc1ccc(cc1)OC)C(=O)O)C(=O)O
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.11g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
354.358g/mol
Monoisotopic Mass:
354.11g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.4
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