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Home > Aldehydes > 148546-21-8
148546-21-8 | 1-Azulenecarboxaldehyde, 5,7-dimethyl-
CAS No: 148546-21-8 Catalog No: AG001KZT MDL No:
Product Description
Catalog Number:
AG001KZT
Chemical Name:
1-Azulenecarboxaldehyde, 5,7-dimethyl-
CAS Number:
148546-21-8
Molecular Formula:
C13H12O
Molecular Weight:
184.2338
IUPAC Name:
5,7-dimethylazulene-1-carbaldehyde
InChI:
InChI=1S/C13H12O/c1-9-5-10(2)7-13-11(6-9)3-4-12(13)8-14/h3-8H,1-2H3
InChI Key:
OQGYZENKAMDKRJ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c1cc(C)cc(c2)C
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.089g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.238g/mol
Monoisotopic Mass:
184.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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