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113540-51-5 | Azulene, 1-methyl-5-(1-methylethyl)-
CAS No: 113540-51-5 Catalog No: AG0008XW MDL No:
Product Description
Catalog Number:
AG0008XW
Chemical Name:
Azulene, 1-methyl-5-(1-methylethyl)-
CAS Number:
113540-51-5
Molecular Formula:
C14H16
Molecular Weight:
184.2768
IUPAC Name:
1-methyl-5-propan-2-ylazulene
InChI:
InChI=1S/C14H16/c1-10(2)12-5-4-6-14-11(3)7-8-13(14)9-12/h4-10H,1-3H3
InChI Key:
WMTFUXVIGMHHKL-UHFFFAOYSA-N
SMILES:
CC(c1cccc2c(c1)ccc2C)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.125g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.282g/mol
Monoisotopic Mass:
184.125g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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