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140200-92-6 | 1(2H)-Pyridazinecarboxylic acid, 3,6-dihydro-, phenylmethyl ester
CAS No: 140200-92-6 Catalog No: AG001C55 MDL No:
Product Description
Catalog Number:
AG001C55
Chemical Name:
1(2H)-Pyridazinecarboxylic acid, 3,6-dihydro-, phenylmethyl ester
CAS Number:
140200-92-6
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
IUPAC Name:
benzyl 3,6-dihydro-1H-pyridazine-2-carboxylate
InChI:
InChI=1S/C12H14N2O2/c15-12(14-9-5-4-8-13-14)16-10-11-6-2-1-3-7-11/h1-7,13H,8-10H2
InChI Key:
HQKJQIJUTWOHJJ-UHFFFAOYSA-N
SMILES:
O=C(N1NCC=CC1)OCc1ccccc1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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