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Home > Aldehydes > 102073-01-8
102073-01-8 | Bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxaldehyde
CAS No: 102073-01-8 Catalog No: AG0006LB MDL No:
Product Description
Catalog Number:
AG0006LB
Chemical Name:
Bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxaldehyde
CAS Number:
102073-01-8
Molecular Formula:
C8H6O
Molecular Weight:
118.1326
IUPAC Name:
bicyclo[4.1.0]hepta-1,3,5-triene-7-carbaldehyde
InChI:
InChI=1S/C8H6O/c9-5-8-6-3-1-2-4-7(6)8/h1-5,8H
InChI Key:
WXVJWTWNRDFBKT-UHFFFAOYSA-N
SMILES:
O=CC1c2c1cccc2
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.042g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
118.135g/mol
Monoisotopic Mass:
118.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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