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13638-83-0 | Naphthalene, 1,4,5,8-tetrabenzoyl- (8CI)
CAS No: 13638-83-0 Catalog No: AG0011TQ MDL No:
Product Description
Catalog Number:
AG0011TQ
Chemical Name:
Naphthalene, 1,4,5,8-tetrabenzoyl- (8CI)
CAS Number:
13638-83-0
Molecular Formula:
C38H24O4
Molecular Weight:
544.5948
IUPAC Name:
phenyl-(4,5,8-tribenzoylnaphthalen-1-yl)methanone
InChI:
InChI=1S/C38H24O4/c39-35(25-13-5-1-6-14-25)29-21-22-31(37(41)27-17-9-3-10-18-27)34-32(38(42)28-19-11-4-12-20-28)24-23-30(33(29)34)36(40)26-15-7-2-8-16-26/h1-24H
InChI Key:
AHXIPWMNLOHFTN-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c2c1c(ccc2C(=O)c1ccccc1)C(=O)c1ccccc1)C(=O)c1ccccc1)c1ccccc1
Properties
Complexity:
806
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
544.167g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
544.606g/mol
Monoisotopic Mass:
544.167g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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