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89779-93-1 | Benzoic acid, 2-[(2,6-dioxocyclohexylidene)acetyl]-
CAS No: 89779-93-1 Catalog No: AG00400C MDL No:
Product Description
Catalog Number:
AG00400C
Chemical Name:
Benzoic acid, 2-[(2,6-dioxocyclohexylidene)acetyl]-
CAS Number:
89779-93-1
Molecular Formula:
C15H12O5
Molecular Weight:
272.2528
IUPAC Name:
2-[2-(2,6-dioxocyclohexylidene)acetyl]benzoic acid
InChI:
InChI=1S/C15H12O5/c16-12-6-3-7-13(17)11(12)8-14(18)9-4-1-2-5-10(9)15(19)20/h1-2,4-5,8H,3,6-7H2,(H,19,20)
InChI Key:
AYMKPWZPTFQWEJ-UHFFFAOYSA-N
SMILES:
O=C1CCCC(=O)C1=CC(=O)c1ccccc1C(=O)O
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.068g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.256g/mol
Monoisotopic Mass:
272.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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