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N- (3-Aminophenyl) -2-methoxyacetamide

CAT: 0926-MHA22567Size: 2.5 gDry Ice: NoHazardous: No
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CAT#:0926-MHA22567Size:2.5 g
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CAS Number
187225-67-8
MDL Number
MFCD09043391
Smiles
COCC (=O) NC1=CC=CC (=C1) N
Molecular Formula
C9H12N2O2
Molecular Weight
180.2 g/mol
Controlled
No

Chemical Information

N-(3-aminophenyl)-2-methoxyacetamide
CAS Number187225-67-8
PubChem CID11137720
IUPAC NameN-(3-aminophenyl)-2-methoxyacetamide
Molecular FormulaC9H12N2O2
Molecular Weight180.20
XLogP-0.2
Topological Polar Surface Area64.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity173
SMILES
COCC(=O)NC1=CC=CC(=C1)N
InChI
InChI=1S/C9H12N2O2/c1-13-6-9(12)11-8-4-2-3-7(10)5-8/h2-5H,6,10H2,1H3,(H,11,12)
InChIKey
QICBWWXNGYJZAX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-aminophenyl)-2-methoxyacetamide
CAS: 187225-67-8
CID: 11137720
Formula: C9H12N2O2
MW: 180.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight180.20
XLogP3-0.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass180.089877630
Monoisotopic Mass180.089877630
Topological Polar Surface Area64.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity173
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes