Home Carboxys 2-methyl-5-[(methylamino)methyl]furan-3-carboxylic acid hydrochloride

2-methyl-5-[(methylamino)methyl]furan-3-carboxylic acid hydrochloride

CAS No.:
1955530-63-8
Catalog Number:
AG01C5EF
Molecular Formula:
C8H12ClNO3
Molecular Weight:
205.6388
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Product Description
Catalog Number:
AG01C5EF
Chemical Name:
2-methyl-5-[(methylamino)methyl]furan-3-carboxylic acid hydrochloride
CAS Number:
1955530-63-8
Molecular Formula:
C8H12ClNO3
Molecular Weight:
205.6388
MDL Number:
MFCD29991371
IUPAC Name:
2-methyl-5-(methylaminomethyl)furan-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C8H11NO3.ClH/c1-5-7(8(10)11)3-6(12-5)4-9-2;/h3,9H,4H2,1-2H3,(H,10,11);1H
InChI Key:
ASNMQQRJLXROSK-UHFFFAOYSA-N
SMILES:
CNCc1oc(c(c1)C(=O)O)C.Cl
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.051g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
205.638g/mol
Monoisotopic Mass:
205.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties