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Home > Other Heterocycles > 77263-27-5
77263-27-5 | Bicyclo[2.2.1]hept-5-ene-2-carbonitrile, 2-formyl- (9CI)
CAS No: 77263-27-5 Catalog No: AG005O75 MDL No:MFCD18826762
Product Description
Catalog Number:
AG005O75
Chemical Name:
Bicyclo[2.2.1]hept-5-ene-2-carbonitrile, 2-formyl- (9CI)
CAS Number:
77263-27-5
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD18826762
IUPAC Name:
2-formylbicyclo[2.2.1]hept-5-ene-2-carbonitrile
InChI:
InChI=1S/C9H9NO/c10-5-9(6-11)4-7-1-2-8(9)3-7/h1-2,6-8H,3-4H2
InChI Key:
XUNFSFATCWPXGS-UHFFFAOYSA-N
SMILES:
C1C2CC(C1(C=O)C#N)C=C2
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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