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Structure

Benz[a]anthracene-d12

CAS
1718-53-2
Catalog Number
ACM1718532
Category
Other Products
Molecular Weight
240.4
Molecular Formula
C18H12

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Specification

Synonyms
1,2,3,4,5,6,7,8,9,10,11,12-dodecadeuteriobenzo[a]anthracene
IUPAC Name
1,2,3,4,5,6,7,8,9,10,11,12-dodecadeuteriobenzo[a]anthracene
Canonical SMILES
C1=CC=C2C(=C1)C=CC3=CC4=CC=CC=C4C=C32
InChI Key
DXBHBZVCASKNBY-AQZSQYOVSA-N
Boiling Point
436.7ºC at 760 mmHg
Melting Point
157-159ºC(lit.)
Flash Point
209.1ºC
Density
1.253 g/cm³
Complexity
294
Defined Atom Stereocenter Count
0
Exact Mass
240.1692
Formal Charge
0
Hazard Statements
T: Toxic;
H-Bond Acceptor
0
H-Bond Donor
0
Heavy Atom Count
18
Hydrogen Bond Acceptor Count
0
Hydrogen Bond Donor Count
0
Isotope Atom Count
12
Monoisotopic Mass
240.1692
Rotatable Bond Count
0
Safety Description
53-22-36/37/39-45-36/37-24/25-23
Topological Polar Surface Area
0 Ų
XLogP3-AA
5.8
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