Home Other Building Blocks 3-AMINO-4-HYDROXY-5-METHOXYBENZOIC ACID

3-AMINO-4-HYDROXY-5-METHOXYBENZOIC ACID

CAS No.:
15785-53-2
Catalog Number:
AG01DLV7
Molecular Formula:
C8H10ClNO4
Molecular Weight:
219.6223
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Product Description
Catalog Number:
AG01DLV7
Chemical Name:
3-AMINO-4-HYDROXY-5-METHOXYBENZOIC ACID
CAS Number:
15785-53-2
Molecular Formula:
C8H10ClNO4
Molecular Weight:
219.6223
MDL Number:
MFCD12913547
IUPAC Name:
3-amino-4-hydroxy-5-methoxybenzoic acid;hydrochloride
InChI:
InChI=1S/C8H9NO4.ClH/c1-13-6-3-4(8(11)12)2-5(9)7(6)10;/h2-3,10H,9H2,1H3,(H,11,12);1H
InChI Key:
FWZUXFNSQFBPKM-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1O)N)C(=O)O.Cl
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.03g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
219.621g/mol
Monoisotopic Mass:
219.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
92.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties