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28692-27-5 | 1H-Isoindol-3-amine, 1-imino-5-methoxy-
CAS No: 28692-27-5 Catalog No: AG002W41 MDL No:MFCD20694504
Product Description
Catalog Number:
AG002W41
Chemical Name:
1H-Isoindol-3-amine, 1-imino-5-methoxy-
CAS Number:
28692-27-5
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
MDL Number:
MFCD20694504
IUPAC Name:
3-imino-5-methoxyisoindol-1-amine
InChI:
InChI=1S/C9H9N3O/c1-13-5-2-3-6-7(4-5)9(11)12-8(6)10/h2-4H,1H3,(H3,10,11,12)
InChI Key:
ULNBACHCVNVEHG-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(=NC2=N)N
EC Number:
249-158-4
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
175.191g/mol
Monoisotopic Mass:
175.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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