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1009031-42-8 | Benzeneacetic acid, 4-amino-2,3-dimethyl-
CAS No: 1009031-42-8 Catalog No: AG000356 MDL No:
Product Description
Catalog Number:
AG000356
Chemical Name:
Benzeneacetic acid, 4-amino-2,3-dimethyl-
CAS Number:
1009031-42-8
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
IUPAC Name:
2-(4-amino-2,3-dimethylphenyl)acetic acid
InChI:
InChI=1S/C10H13NO2/c1-6-7(2)9(11)4-3-8(6)5-10(12)13/h3-4H,5,11H2,1-2H3,(H,12,13)
InChI Key:
XBKIUXBIXFOLKH-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(c(c1C)C)N
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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