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126442-84-0 | Benzoic acid, 4-[2-(1,2-dimethylpropylidene)hydrazinyl]-
CAS No: 126442-84-0 Catalog No: AG000SSG MDL No:
Product Description
Catalog Number:
AG000SSG
Chemical Name:
Benzoic acid, 4-[2-(1,2-dimethylpropylidene)hydrazinyl]-
CAS Number:
126442-84-0
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
IUPAC Name:
4-[2-(3-methylbutan-2-ylidene)hydrazinyl]benzoic acid
InChI:
InChI=1S/C12H16N2O2/c1-8(2)9(3)13-14-11-6-4-10(5-7-11)12(15)16/h4-8,14H,1-3H3,(H,15,16)
InChI Key:
UNDIWHYFUVTYKY-UHFFFAOYSA-N
SMILES:
CC(C(=NNc1ccc(cc1)C(=O)O)C)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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