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73991-29-4 | Bicyclo[3.1.1]hept-2-ene-2-carboxaldehyde
CAS No: 73991-29-4 Catalog No: AG008PK6 MDL No:
Product Description
Catalog Number:
AG008PK6
Chemical Name:
Bicyclo[3.1.1]hept-2-ene-2-carboxaldehyde
CAS Number:
73991-29-4
Molecular Formula:
C8H10O
Molecular Weight:
122.1644
IUPAC Name:
bicyclo[3.1.1]hept-2-ene-2-carbaldehyde
InChI:
InChI=1S/C8H10O/c9-5-7-2-1-6-3-8(7)4-6/h2,5-6,8H,1,3-4H2
InChI Key:
PWVXOZMACNWSII-UHFFFAOYSA-N
SMILES:
O=CC1=CCC2CC1C2
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.073g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.167g/mol
Monoisotopic Mass:
122.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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