Home Carbonyls (3S)-3-amino-3-[3-(methoxycarbonyl)phenyl]propanoic acid hydrochloride

(3S)-3-amino-3-[3-(methoxycarbonyl)phenyl]propanoic acid hydrochloride

CAS No.:
2059917-86-9
Catalog Number:
AG01BRYO
Molecular Formula:
C11H14ClNO4
Molecular Weight:
259.6862
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Product Description
Catalog Number:
AG01BRYO
Chemical Name:
(3S)-3-amino-3-[3-(methoxycarbonyl)phenyl]propanoic acid hydrochloride
CAS Number:
2059917-86-9
Molecular Formula:
C11H14ClNO4
Molecular Weight:
259.6862
MDL Number:
MFCD30535964
IUPAC Name:
3-amino-3-(3-methoxycarbonylphenyl)propanoic acid;hydrochloride
InChI:
InChI=1S/C11H13NO4.ClH/c1-16-11(15)8-4-2-3-7(5-8)9(12)6-10(13)14;/h2-5,9H,6,12H2,1H3,(H,13,14);1H
InChI Key:
BKNMLQKEHWCXLP-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)[C@H](CC(=O)O)N.Cl
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.061g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
259.686g/mol
Monoisotopic Mass:
259.061g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties