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101737-25-1 | Butanedioic acid, 2,3-dibenzoyl-
CAS No: 101737-25-1 Catalog No: AG0005CB MDL No:
Product Description
Catalog Number:
AG0005CB
Chemical Name:
Butanedioic acid, 2,3-dibenzoyl-
CAS Number:
101737-25-1
Molecular Formula:
C18H14O6
Molecular Weight:
326.3002
IUPAC Name:
2,3-dibenzoylbutanedioic acid
InChI:
InChI=1S/C18H14O6/c19-15(11-7-3-1-4-8-11)13(17(21)22)14(18(23)24)16(20)12-9-5-2-6-10-12/h1-10,13-14H,(H,21,22)(H,23,24)
InChI Key:
MJXBFANAKDVZKF-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(=O)c1ccccc1)C(C(=O)c1ccccc1)C(=O)O
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.079g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
326.304g/mol
Monoisotopic Mass:
326.079g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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