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116435-35-9 | Benzeneacetic acid, α-amino-2,3-dimethoxy-
CAS No: 116435-35-9 Catalog No: AG000CHY MDL No:MFCD02662414
Product Description
Catalog Number:
AG000CHY
Chemical Name:
Benzeneacetic acid, α-amino-2,3-dimethoxy-
CAS Number:
116435-35-9
Molecular Formula:
C10H13NO4
Molecular Weight:
211.2145
MDL Number:
MFCD02662414
IUPAC Name:
2-amino-2-(2,3-dimethoxyphenyl)acetic acid
InChI:
InChI=1S/C10H13NO4/c1-14-7-5-3-4-6(9(7)15-2)8(11)10(12)13/h3-5,8H,11H2,1-2H3,(H,12,13)
InChI Key:
SKYWCOFVKFAKPJ-UHFFFAOYSA-N
SMILES:
COc1c(OC)cccc1C(C(=O)O)N
Properties
Complexity:
222
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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