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38849-09-1 | 3-(9,10-Ethano-9(10H)-anthryl)acrylaldehyde
CAS No: 38849-09-1 Catalog No: AG007818 MDL No:
Product Description
Catalog Number:
AG007818
Chemical Name:
3-(9,10-Ethano-9(10H)-anthryl)acrylaldehyde
CAS Number:
38849-09-1
Molecular Formula:
C19H16O
Molecular Weight:
260.3297
IUPAC Name:
(E)-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)prop-2-enal
InChI:
InChI=1S/C19H16O/c20-13-5-11-19-12-10-14(15-6-1-3-8-17(15)19)16-7-2-4-9-18(16)19/h1-9,11,13-14H,10,12H2/b11-5+
InChI Key:
SEKAHXWZBXZWDA-VZUCSPMQSA-N
SMILES:
O=CC=CC12CCC(c3c1cccc3)c1c2cccc1
EC Number:
254-154-0
UNII:
1Z40VV7XZX
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
260.12g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.336g/mol
Monoisotopic Mass:
260.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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