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7468-93-1 | 4,5,7,8,9,10-hexahydroacephenanthrylene
CAS No: 7468-93-1 Catalog No: AG005IFI MDL No:
Product Description
Catalog Number:
AG005IFI
Chemical Name:
4,5,7,8,9,10-hexahydroacephenanthrylene
CAS Number:
7468-93-1
Molecular Formula:
C16H16
Molecular Weight:
208.2982
IUPAC Name:
4,5,7,8,9,10-hexahydroacephenanthrylene
InChI:
InChI=1S/C16H16/c1-2-6-14-12(4-1)10-13-9-8-11-5-3-7-15(14)16(11)13/h3,5,7,10H,1-2,4,6,8-9H2
InChI Key:
DZDDQEDXNDNZJG-UHFFFAOYSA-N
SMILES:
C1CCc2c(C1)c1cccc3c1c(c2)CC3
NSC Number:
400584
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.125g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.304g/mol
Monoisotopic Mass:
208.125g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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