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72204-08-1 | Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde, 2-methyl-, (1R,2S,4R)-
CAS No: 72204-08-1 Catalog No: AG005JG3 MDL No:
Product Description
Catalog Number:
AG005JG3
Chemical Name:
Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde, 2-methyl-, (1R,2S,4R)-
CAS Number:
72204-08-1
Molecular Formula:
C9H12O
Molecular Weight:
136.1910
IUPAC Name:
(1R,2S,4R)-2-methylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
InChI:
InChI=1S/C9H12O/c1-9(6-10)5-7-2-3-8(9)4-7/h2-3,6-8H,4-5H2,1H3/t7-,8+,9-/m1/s1
InChI Key:
OEUNHSRWYZGUDW-HRDYMLBCSA-N
SMILES:
C[C@@]1(C[C@H]2C[C@@H]1C=C2)C=O
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
136.089g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.194g/mol
Monoisotopic Mass:
136.089g/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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