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10142-57-1 | Dinaphth[2,3-a:2',3'-h]acridine-5,9,14,15,18(6H)-pentone
CAS No: 10142-57-1 Catalog No: AG0004GF MDL No:
Product Description
Catalog Number:
AG0004GF
Chemical Name:
Dinaphth[2,3-a:2',3'-h]acridine-5,9,14,15,18(6H)-pentone
CAS Number:
10142-57-1
Molecular Formula:
C29H13NO5
Molecular Weight:
455.4172
IUPAC Name:
2-azaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1(18),3(16),4(13),6,8,10,14,19(28),21,23,25,29-dodecaene-5,12,17,20,27-pentone
InChI:
InChI=1S/C29H13NO5/c31-25-13-5-1-3-7-15(13)27(33)21-17(25)11-12-20-23(21)29(35)19-10-9-18-22(24(19)30-20)28(34)16-8-4-2-6-14(16)26(18)32/h1-12H,(H,30,35)
InChI Key:
HKFPGMSIDNGXLV-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)c2c1c1[nH]c3ccc4c(c3c(=O)c1cc2)C(=O)c1c(C4=O)cccc1
EC Number:
600-208-7
Properties
Complexity:
1000
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
455.079g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
455.425g/mol
Monoisotopic Mass:
455.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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