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113906-09-5 | Benzoic acid, 4-methoxy-, 2-(1H-pyrrol-2-ylmethylene)hydrazide
CAS No: 113906-09-5 Catalog No: AG000A1L MDL No:
Product Description
Catalog Number:
AG000A1L
Chemical Name:
Benzoic acid, 4-methoxy-, 2-(1H-pyrrol-2-ylmethylene)hydrazide
CAS Number:
113906-09-5
Molecular Formula:
C13H13N3O2
Molecular Weight:
243.2612
IUPAC Name:
1-phenyl-3-(1H-pyrrol-2-ylmethylideneamino)urea
InChI:
InChI=1S/C12H12N4O/c17-12(15-10-5-2-1-3-6-10)16-14-9-11-7-4-8-13-11/h1-9,13H,(H2,15,16,17)
InChI Key:
NWTYISUZWFHEEV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)NN=Cc1ccc[nH]1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
228.255g/mol
Monoisotopic Mass:
228.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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