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189345-92-4 | Bicyclo[2.2.1]hepta-2,5-diene-2-carboxaldehyde, (1R,4S)-
CAS No: 189345-92-4 Catalog No: AG002IBS MDL No:
Product Description
Catalog Number:
AG002IBS
Chemical Name:
Bicyclo[2.2.1]hepta-2,5-diene-2-carboxaldehyde, (1R,4S)-
CAS Number:
189345-92-4
Molecular Formula:
C8H8O
Molecular Weight:
120.1485
IUPAC Name:
(1R,4S)-bicyclo[2.2.1]hepta-2,5-diene-2-carbaldehyde
InChI:
InChI=1S/C8H8O/c9-5-8-4-6-1-2-7(8)3-6/h1-2,4-7H,3H2/t6-,7+/m1/s1
InChI Key:
SIMZBIBSRJBVFM-RQJHMYQMSA-N
SMILES:
C1[C@@H]2C=C[C@H]1C=C2C=O
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
120.058g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.151g/mol
Monoisotopic Mass:
120.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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