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96462-56-5 | 1-Acenaphthylenecarboxaldehyde
CAS No: 96462-56-5 Catalog No: AG005TZ3 MDL No:MFCD24674331
Product Description
Catalog Number:
AG005TZ3
Chemical Name:
1-Acenaphthylenecarboxaldehyde
CAS Number:
96462-56-5
Molecular Formula:
C13H8O
Molecular Weight:
180.2020
MDL Number:
MFCD24674331
IUPAC Name:
acenaphthylene-1-carbaldehyde
InChI:
InChI=1S/C13H8O/c14-8-11-7-10-5-1-3-9-4-2-6-12(11)13(9)10/h1-8H
InChI Key:
DJGQYTUXTCURSC-UHFFFAOYSA-N
SMILES:
O=CC1=Cc2c3c1cccc3ccc2
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.206g/mol
Monoisotopic Mass:
180.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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