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Home > Aldehydes > 114664-91-4
114664-91-4 | Bicyclo[4.1.0]hepta-1,3,5-triene-3-carboxaldehyde
CAS No: 114664-91-4 Catalog No: AG000EZF MDL No:
Product Description
Catalog Number:
AG000EZF
Chemical Name:
Bicyclo[4.1.0]hepta-1,3,5-triene-3-carboxaldehyde
CAS Number:
114664-91-4
Molecular Formula:
C8H6O
Molecular Weight:
118.1326
IUPAC Name:
bicyclo[4.1.0]hepta-1(6),2,4-triene-3-carbaldehyde
InChI:
InChI=1S/C8H6O/c9-5-6-1-2-7-4-8(7)3-6/h1-3,5H,4H2
InChI Key:
CTHJOBCEDOGRMA-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)C2
Properties
Complexity:
131
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:
0.7
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