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835653-05-9 | Benzaldehyde, compd. with pyrimidine (1:1)
CAS No: 835653-05-9 Catalog No: AG004UG3 MDL No:
Product Description
Catalog Number:
AG004UG3
Chemical Name:
Benzaldehyde, compd. with pyrimidine (1:1)
CAS Number:
835653-05-9
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
IUPAC Name:
benzaldehyde;pyrimidine
InChI:
InChI=1S/C7H6O.C4H4N2/c8-6-7-4-2-1-3-5-7;1-2-5-4-6-3-1/h1-6H;1-4H
InChI Key:
LWGWZOZRIXRECK-UHFFFAOYSA-N
SMILES:
c1ccncn1.O=Cc1ccccc1
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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