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24723-13-5 | Guanidine, N-(3-acetylphenyl)-
CAS No: 24723-13-5 Catalog No: AG002P84 MDL No:MFCD16653175
Product Description
Catalog Number:
AG002P84
Chemical Name:
Guanidine, N-(3-acetylphenyl)-
CAS Number:
24723-13-5
Molecular Formula:
C9H11N3O
Molecular Weight:
177.2031
MDL Number:
MFCD16653175
IUPAC Name:
2-(3-acetylphenyl)guanidine
InChI:
InChI=1S/C9H11N3O/c1-6(13)7-3-2-4-8(5-7)12-9(10)11/h2-5H,1H3,(H4,10,11,12)
InChI Key:
IGHJRBBQKRWMQU-UHFFFAOYSA-N
SMILES:
NC(=N)Nc1cccc(c1)C(=O)C
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.207g/mol
Monoisotopic Mass:
177.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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