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116502-42-2 | Benzeneacetic acid, α-amino-3,5-dimethoxy-
CAS No: 116502-42-2 Catalog No: AG000CNG MDL No:
Product Description
Catalog Number:
AG000CNG
Chemical Name:
Benzeneacetic acid, α-amino-3,5-dimethoxy-
CAS Number:
116502-42-2
Molecular Formula:
C10H13NO4
Molecular Weight:
211.2145
IUPAC Name:
2-amino-2-(3,5-dimethoxyphenyl)acetic acid
InChI:
InChI=1S/C10H13NO4/c1-14-7-3-6(9(11)10(12)13)4-8(5-7)15-2/h3-5,9H,11H2,1-2H3,(H,12,13)
InChI Key:
PUDUIVFPKSOBOR-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)OC)C(C(=O)O)N
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.217g/mol
Monoisotopic Mass:
211.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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