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91813-89-7 | 6-Azulenecarboxaldehyde, 4,8-dimethyl-
CAS No: 91813-89-7 Catalog No: AG0069QH MDL No:
Product Description
Catalog Number:
AG0069QH
Chemical Name:
6-Azulenecarboxaldehyde, 4,8-dimethyl-
CAS Number:
91813-89-7
Molecular Formula:
C13H12O
Molecular Weight:
184.2338
IUPAC Name:
4,8-dimethylazulene-6-carbaldehyde
InChI:
InChI=1S/C13H12O/c1-9-6-11(8-14)7-10(2)13-5-3-4-12(9)13/h3-8H,1-2H3
InChI Key:
MNBVKOJLLNGVOF-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)c2c(c(c1)C)ccc2
Properties
Complexity:
193
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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