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28544-42-5 | Benzeneacetic acid, α-(methylamino)-, hydrochloride (1:1)
CAS No: 28544-42-5 Catalog No: AG002VOB MDL No:MFCD06795795
Product Description
Catalog Number:
AG002VOB
Chemical Name:
Benzeneacetic acid, α-(methylamino)-, hydrochloride (1:1)
CAS Number:
28544-42-5
Molecular Formula:
C9H12ClNO2
Molecular Weight:
201.6501
MDL Number:
MFCD06795795
IUPAC Name:
2-(methylamino)-2-phenylacetic acid;hydrochloride
InChI:
InChI=1S/C9H11NO2.ClH/c1-10-8(9(11)12)7-5-3-2-4-6-7;/h2-6,8,10H,1H3,(H,11,12);1H
InChI Key:
FUUXTVBJBBSPAG-UHFFFAOYSA-N
SMILES:
CNC(c1ccccc1)C(=O)O.Cl
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
201.65g/mol
Monoisotopic Mass:
201.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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