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101976-08-3 | Benzoic acid, 2-formyl-, anhydride with 2-formylbenzoic acid
CAS No: 101976-08-3 Catalog No: AG00064D MDL No:
Product Description
Catalog Number:
AG00064D
Chemical Name:
Benzoic acid, 2-formyl-, anhydride with 2-formylbenzoic acid
CAS Number:
101976-08-3
Molecular Formula:
C16H10O5
Molecular Weight:
282.2476
IUPAC Name:
(2-formylbenzoyl) 2-formylbenzoate
InChI:
InChI=1S/C16H10O5/c17-9-11-5-1-3-7-13(11)15(19)21-16(20)14-8-4-2-6-12(14)10-18/h1-10H
InChI Key:
ZYFUINKRRQFAPT-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1C(=O)OC(=O)c1ccccc1C=O
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.053g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.251g/mol
Monoisotopic Mass:
282.053g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| (Z)-Amino-(2-methyl-3-oxoisoindolin-1-yl-idene)acetonitrile. | Acta crystallographica. Section E, Structure reports online 20091201 |
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