1,2-Benzanthraquinone

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Catalog Number
ACM2498660
Product Name
1,2-Benzanthraquinone
Structure
Structure
CAS
2498-66-0
Category
Heterocyclic Organic Compound
IUPAC Name
benzo[a]anthracene-7,12-dione
Molecular Weight
258.3g/mol
Molecular Formula
C18H10O2
Canonical SMILES
C1=CC=C2C(=C1)C=CC3=C2C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C18H10O2/c19-17-13-7-3-4-8-14(13)18(20)16-12-6-2-1-5-11(12)9-10-15(16)17/h1-10H
InChI Key
LHMRXAIRPKSGDE-UHFFFAOYSA-N
Melting Point
170.0 °C
Complexity
427
Covalently-Bonded Unit Count
1
EC Number
219-693-8
Exact Mass
258.06808g/mol
Formal Charge
0
H-Bond Acceptor
2
H-Bond Donor
0
Heavy Atom Count
20
LogP
4.4 (LogP)
Monoisotopic Mass
258.06808g/mol
NSC Number
7961
Rotatable Bond Count
0
UNII
BL89U5YZBK
XLogP3
4.1
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