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17647-77-7 | Azulene, 4-methyl-
CAS No: 17647-77-7 Catalog No: AG0024PU MDL No:
Product Description
Catalog Number:
AG0024PU
Chemical Name:
Azulene, 4-methyl-
CAS Number:
17647-77-7
Molecular Formula:
C11H10
Molecular Weight:
142.1971
IUPAC Name:
4-methylazulene
InChI:
InChI=1S/C11H10/c1-9-5-2-3-6-10-7-4-8-11(9)10/h2-8H,1H3
InChI Key:
RVJUDUADOMIBMH-UHFFFAOYSA-N
SMILES:
Cc1ccccc2c1ccc2
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.078g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.201g/mol
Monoisotopic Mass:
142.078g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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