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100-31-2 | Benzoic acid, 4,4'-(1,2-ethenediyl)bis-
CAS No: 100-31-2 Catalog No: AG00006L MDL No:MFCD00013994
Product Description
Catalog Number:
AG00006L
Chemical Name:
Benzoic acid, 4,4'-(1,2-ethenediyl)bis-
CAS Number:
100-31-2
Molecular Formula:
C16H12O4
Molecular Weight:
268.2641
MDL Number:
MFCD00013994
IUPAC Name:
4-[(E)-2-(4-carboxyphenyl)ethenyl]benzoic acid
InChI:
InChI=1S/C16H12O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H,(H,17,18)(H,19,20)/b2-1+
InChI Key:
SBBQDUFLZGOASY-OWOJBTEDSA-N
SMILES:
OC(=O)c1ccc(cc1)C=Cc1ccc(cc1)C(=O)O
EC Number:
202-838-4
NSC Number:
40932
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
268.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.268g/mol
Monoisotopic Mass:
268.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Distinct differences in self-assembly of aromatic linear dicarboxylic acids. | Langmuir : the ACS journal of surfaces and colloids 20090120 |
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