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1024613-61-3 | Benzeneacetic acid, α-amino-4-methoxy-3-methyl-
CAS No: 1024613-61-3 Catalog No: AG0007J8 MDL No:
Product Description
Catalog Number:
AG0007J8
Chemical Name:
Benzeneacetic acid, α-amino-4-methoxy-3-methyl-
CAS Number:
1024613-61-3
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
IUPAC Name:
2-amino-2-(4-methoxy-3-methylphenyl)acetic acid
InChI:
InChI=1S/C10H13NO3/c1-6-5-7(9(11)10(12)13)3-4-8(6)14-2/h3-5,9H,11H2,1-2H3,(H,12,13)
InChI Key:
MKDABEIUZAXUSQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C)C(C(=O)O)N
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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