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129592-98-9 | Benzeneacetic acid, α-amino-2-methyl-
CAS No: 129592-98-9 Catalog No: AG000Z8G MDL No:MFCD02662421
Product Description
Catalog Number:
AG000Z8G
Chemical Name:
Benzeneacetic acid, α-amino-2-methyl-
CAS Number:
129592-98-9
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD02662421
IUPAC Name:
2-amino-2-(2-methylphenyl)acetic acid
InChI:
InChI=1S/C9H11NO2/c1-6-4-2-3-5-7(6)8(10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12)
InChI Key:
FLYIRERUSAMCDQ-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccccc1C)N
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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