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85392-34-3 | 2-(BICYCLO[2.2.1]HEPT-5-EN-2-YLMETHYLENE)BUTYRALDEHYDE
CAS No: 85392-34-3 Catalog No: AG004KQ0 MDL No:
Product Description
Catalog Number:
AG004KQ0
Chemical Name:
2-(BICYCLO[2.2.1]HEPT-5-EN-2-YLMETHYLENE)BUTYRALDEHYDE
CAS Number:
85392-34-3
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
IUPAC Name:
(2E)-2-(2-bicyclo[2.2.1]hept-5-enylmethylidene)butanal
InChI:
InChI=1S/C12H16O/c1-2-9(8-13)5-12-7-10-3-4-11(12)6-10/h3-5,8,10-12H,2,6-7H2,1H3/b9-5+
InChI Key:
ITHIOGMYPOYWSQ-WEVVVXLNSA-N
SMILES:
CCC(=CC1CC2CC1C=C2)C=O
EC Number:
286-892-4
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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