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3331-47-3 | 1-Azulenecarboxaldehyde,3,8-dimethyl-5-(1-methylethyl)-
CAS No: 3331-47-3 Catalog No: AG007GDE MDL No:MFCD00275723
Product Description
Catalog Number:
AG007GDE
Chemical Name:
1-Azulenecarboxaldehyde,3,8-dimethyl-5-(1-methylethyl)-
CAS Number:
3331-47-3
Molecular Formula:
C16H18O
Molecular Weight:
226.3135
MDL Number:
MFCD00275723
IUPAC Name:
3,8-dimethyl-5-propan-2-ylazulene-1-carbaldehyde
InChI:
InChI=1S/C16H18O/c1-10(2)13-6-5-11(3)16-14(9-17)7-12(4)15(16)8-13/h5-10H,1-4H3
InChI Key:
CDVRGGMPPUFSFH-UHFFFAOYSA-N
SMILES:
O=Cc1cc(c2c1c(C)ccc(c2)C(C)C)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.319g/mol
Monoisotopic Mass:
226.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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