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78926-35-9 | BICYCLO[4.2.0]OCTA-1,3,5-TRIENE-7-CARBALDEHYDE
CAS No: 78926-35-9 Catalog No: AG005D5X MDL No:MFCD11100028
Product Description
Catalog Number:
AG005D5X
Chemical Name:
BICYCLO[4.2.0]OCTA-1,3,5-TRIENE-7-CARBALDEHYDE
CAS Number:
78926-35-9
Molecular Formula:
C9H8O
Molecular Weight:
132.1592
MDL Number:
MFCD11100028
IUPAC Name:
bicyclo[4.2.0]octa-1,3,5-triene-7-carbaldehyde
InChI:
InChI=1S/C9H8O/c10-6-8-5-7-3-1-2-4-9(7)8/h1-4,6,8H,5H2
InChI Key:
CAGLJCIYRHLVFP-UHFFFAOYSA-N
SMILES:
O=CC1Cc2c1cccc2
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.058g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.162g/mol
Monoisotopic Mass:
132.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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