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122828-62-0 | 2-Azulenepropanol
CAS No: 122828-62-0 Catalog No: AG000JKJ MDL No:
Product Description
Catalog Number:
AG000JKJ
Chemical Name:
2-Azulenepropanol
CAS Number:
122828-62-0
Molecular Formula:
C13H14O
Molecular Weight:
186.2497
IUPAC Name:
3-azulen-2-ylpropan-1-ol
InChI:
InChI=1S/C13H14O/c14-8-4-5-11-9-12-6-2-1-3-7-13(12)10-11/h1-3,6-7,9-10,14H,4-5,8H2
InChI Key:
YLRGSPJZACJCDI-UHFFFAOYSA-N
SMILES:
OCCCc1cc2c(c1)ccccc2
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.104g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.254g/mol
Monoisotopic Mass:
186.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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