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112892-88-3 | Bicyclo[4.2.0]octa-1,3,5-triene-3-carboxaldehyde
CAS No: 112892-88-3 Catalog No: AG0081PL MDL No:MFCD09842341
Product Description
Catalog Number:
AG0081PL
Chemical Name:
Bicyclo[4.2.0]octa-1,3,5-triene-3-carboxaldehyde
CAS Number:
112892-88-3
Molecular Formula:
C9H8O
Molecular Weight:
132.1592
MDL Number:
MFCD09842341
IUPAC Name:
bicyclo[4.2.0]octa-1(6),2,4-triene-3-carbaldehyde
InChI:
InChI=1S/C9H8O/c10-6-7-1-2-8-3-4-9(8)5-7/h1-2,5-6H,3-4H2
InChI Key:
OIVKWICRTVJWFO-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)CC2
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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