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101190-70-9 | Guanidine, N-cyano-N'-[(4-methoxyphenyl)methyl]-
CAS No: 101190-70-9 Catalog No: AG0003WZ MDL No:
Product Description
Catalog Number:
AG0003WZ
Chemical Name:
Guanidine, N-cyano-N'-[(4-methoxyphenyl)methyl]-
CAS Number:
101190-70-9
Molecular Formula:
C10H12N4O
Molecular Weight:
204.2285
IUPAC Name:
1-cyano-2-[(4-methoxyphenyl)methyl]guanidine
InChI:
InChI=1S/C10H12N4O/c1-15-9-4-2-8(3-5-9)6-13-10(12)14-7-11/h2-5H,6H2,1H3,(H3,12,13,14)
InChI Key:
ILKGZLJYMRLDCQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CNC(=N)NC#N
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.101g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.233g/mol
Monoisotopic Mass:
204.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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