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127406-08-0 | Benzaldehyde, 4-(2-pyrazinyl)-
CAS No: 127406-08-0 Catalog No: AG000X10 MDL No:MFCD02684109
Product Description
Catalog Number:
AG000X10
Chemical Name:
Benzaldehyde, 4-(2-pyrazinyl)-
CAS Number:
127406-08-0
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
MDL Number:
MFCD02684109
IUPAC Name:
4-pyrazin-2-ylbenzaldehyde
InChI:
InChI=1S/C11H8N2O/c14-8-9-1-3-10(4-2-9)11-7-12-5-6-13-11/h1-8H
InChI Key:
QEJFDPPZUXABRM-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1nccnc1
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.198g/mol
Monoisotopic Mass:
184.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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