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Home > Aldehydes > 835653-11-7
835653-11-7 | Benzaldehyde, compd. with 1H-pyrazole (1:1)
CAS No: 835653-11-7 Catalog No: AG0057K3 MDL No:
Product Description
Catalog Number:
AG0057K3
Chemical Name:
Benzaldehyde, compd. with 1H-pyrazole (1:1)
CAS Number:
835653-11-7
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
IUPAC Name:
benzaldehyde;1H-pyrazole
InChI:
InChI=1S/C7H6O.C3H4N2/c8-6-7-4-2-1-3-5-7;1-2-4-5-3-1/h1-6H;1-3H,(H,4,5)
InChI Key:
ARMADEYERRWKAK-UHFFFAOYSA-N
SMILES:
c1ccn[nH]1.O=Cc1ccccc1
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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