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264275-33-4

264275-33-4 | L-Alanine, 3-(benzoylamino)-, methyl ester, monohydrochloride (9CI)

CAS No: 264275-33-4 Catalog No: AG002T6O MDL No:MFCD11040520

Product Description

Catalog Number:
AG002T6O
Chemical Name:
L-Alanine, 3-(benzoylamino)-, methyl ester, monohydrochloride (9CI)
CAS Number:
264275-33-4
Molecular Formula:
C11H15ClN2O3
Molecular Weight:
258.7014
MDL Number:
MFCD11040520
IUPAC Name:
methyl (2S)-2-amino-3-benzamidopropanoate;hydrochloride
InChI:
InChI=1S/C11H14N2O3.ClH/c1-16-11(15)9(12)7-13-10(14)8-5-3-2-4-6-8;/h2-6,9H,7,12H2,1H3,(H,13,14);1H/t9-;/m0./s1
InChI Key:
RCXIHYHAQSRRSY-FVGYRXGTSA-N
SMILES:
COC(=O)[C@H](CNC(=O)c1ccccc1)N.Cl

Properties

Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
258.077g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
258.702g/mol
Monoisotopic Mass:
258.077g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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