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127406-55-7 | Benzaldehyde, 4-(3-pyridinyl)-
CAS No: 127406-55-7 Catalog No: AG000X27 MDL No:MFCD01631910
Product Description
Catalog Number:
AG000X27
Chemical Name:
Benzaldehyde, 4-(3-pyridinyl)-
CAS Number:
127406-55-7
Molecular Formula:
C12H9NO
Molecular Weight:
183.2060
MDL Number:
MFCD01631910
IUPAC Name:
4-pyridin-3-ylbenzaldehyde
InChI:
InChI=1S/C12H9NO/c14-9-10-3-5-11(6-4-10)12-2-1-7-13-8-12/h1-9H
InChI Key:
NXZUVHZZIZHEOP-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1cccnc1
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.068g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.21g/mol
Monoisotopic Mass:
183.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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