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7206-54-4 | Azulene, 1-(1-methylethyl)-
CAS No: 7206-54-4 Catalog No: AG005DB1 MDL No:
Product Description
Catalog Number:
AG005DB1
Chemical Name:
Azulene, 1-(1-methylethyl)-
CAS Number:
7206-54-4
Molecular Formula:
C13H14
Molecular Weight:
170.2503
IUPAC Name:
1-propan-2-ylazulene
InChI:
InChI=1S/C13H14/c1-10(2)12-9-8-11-6-4-3-5-7-13(11)12/h3-10H,1-2H3
InChI Key:
PGMUWFCRDIIWCB-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c1ccccc2)C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.255g/mol
Monoisotopic Mass:
170.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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