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69783-31-9 | 3,4-Dimethoxybenzimidamide
CAS No: 69783-31-9 Catalog No: AG005I00 MDL No:MFCD05662982
Product Description
Catalog Number:
AG005I00
Chemical Name:
3,4-Dimethoxybenzimidamide
CAS Number:
69783-31-9
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD05662982
IUPAC Name:
3,4-dimethoxybenzenecarboximidamide
InChI:
InChI=1S/C9H12N2O2/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H3,10,11)
InChI Key:
GRNBGCVJIQHIKG-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C(=N)N
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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