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208718-83-6 | Benzeneethanimidamide, 3-methoxy-
CAS No: 208718-83-6 Catalog No: AG002JU9 MDL No:MFCD04973394
Product Description
Catalog Number:
AG002JU9
Chemical Name:
Benzeneethanimidamide, 3-methoxy-
CAS Number:
208718-83-6
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
MDL Number:
MFCD04973394
IUPAC Name:
2-(3-methoxyphenyl)ethanimidamide
InChI:
InChI=1S/C9H12N2O/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H3,10,11)
InChI Key:
MAJPASBCPDHGFY-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)CC(=N)N
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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