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1196049-17-8 | Benzoic acid, 4-[(1R)-1-amino-2-hydroxyethyl]-, methyl ester, hydrochloride (1:1)
CAS No: 1196049-17-8 Catalog No: AG000PA0 MDL No:MFCD12910852
Product Description
Catalog Number:
AG000PA0
Chemical Name:
Benzoic acid, 4-[(1R)-1-amino-2-hydroxyethyl]-, methyl ester, hydrochloride (1:1)
CAS Number:
1196049-17-8
Molecular Formula:
C10H14ClNO3
Molecular Weight:
231.6761
MDL Number:
MFCD12910852
IUPAC Name:
methyl 4-[(1R)-1-amino-2-hydroxyethyl]benzoate;hydrochloride
InChI:
InChI=1S/C10H13NO3.ClH/c1-14-10(13)8-4-2-7(3-5-8)9(11)6-12;/h2-5,9,12H,6,11H2,1H3;1H/t9-;/m0./s1
InChI Key:
OBDORQAVVCZMAL-FVGYRXGTSA-N
SMILES:
OC[C@@H](c1ccc(cc1)C(=O)OC)N.Cl
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
231.066g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
231.676g/mol
Monoisotopic Mass:
231.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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