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72378-87-1

72378-87-1 | Benzo[k]benz[a]anthracen-3-ol,3-acetate

CAS No: 72378-87-1 Catalog No: AG005HZ9 MDL No:

Product Description

Catalog Number:
AG005HZ9
Chemical Name:
Benzo[k]benz[a]anthracen-3-ol,3-acetate
CAS Number:
72378-87-1
Molecular Formula:
C24H16O2
Molecular Weight:
336.3826
IUPAC Name:
naphtho[1,2-b]phenanthren-3-yl acetate
InChI:
InChI=1S/C24H16O2/c1-15(25)26-20-10-11-22-17(12-20)8-9-19-13-23-18(14-24(19)22)7-6-16-4-2-3-5-21(16)23/h2-14H,1H3
InChI Key:
YMQDQOSGAXDBMK-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc2c(c1)ccc1c2cc2ccc3c(c2c1)cccc3

Properties

Complexity:
528  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.115g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.39g/mol
Monoisotopic Mass:
336.115g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5  

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