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89398-58-3 | 1H,4H-3a,8a-Methanoazulene-1-carboxaldehyde, hexahydro-
CAS No: 89398-58-3 Catalog No: AG003WAP MDL No:
Product Description
Catalog Number:
AG003WAP
Chemical Name:
1H,4H-3a,8a-Methanoazulene-1-carboxaldehyde, hexahydro-
CAS Number:
89398-58-3
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
IUPAC Name:
tricyclo[5.3.1.01,7]undecane-8-carbaldehyde
InChI:
InChI=1S/C12H18O/c13-8-10-4-7-11-5-2-1-3-6-12(10,11)9-11/h8,10H,1-7,9H2
InChI Key:
YRKVSNPULMITRX-UHFFFAOYSA-N
SMILES:
O=CC1CCC23C1(CCCCC3)C2
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.275g/mol
Monoisotopic Mass:
178.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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