Home Aminos 2-amino-5-methoxy-3-methylbenzoic acid

2-amino-5-methoxy-3-methylbenzoic acid

CAS No.:
1180497-46-4
Catalog Number:
AG01ABK3
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
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Product Description
Catalog Number:
AG01ABK3
Chemical Name:
2-amino-5-methoxy-3-methylbenzoic acid
CAS Number:
1180497-46-4
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD17238070
IUPAC Name:
2-amino-5-methoxy-3-methylbenzoic acid
InChI:
InChI=1S/C9H11NO3/c1-5-3-6(13-2)4-7(8(5)10)9(11)12/h3-4H,10H2,1-2H3,(H,11,12)
InChI Key:
XXPURUMOXCPQJB-UHFFFAOYSA-N
SMILES:
COc1cc(C)c(c(c1)C(=O)O)N
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties