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141899-12-9 | Benzenebutanoic acid, α-amino-4-hydroxy-, hydrobromide (1:1), (αS)-
CAS No: 141899-12-9 Catalog No: AG001HC5 MDL No:MFCD01075127
Product Description
Catalog Number:
AG001HC5
Chemical Name:
Benzenebutanoic acid, α-amino-4-hydroxy-, hydrobromide (1:1), (αS)-
CAS Number:
141899-12-9
Molecular Formula:
C10H14BrNO3
Molecular Weight:
276.1271
MDL Number:
MFCD01075127
IUPAC Name:
(2S)-2-amino-4-(4-hydroxyphenyl)butanoic acid;hydrobromide
InChI:
InChI=1S/C10H13NO3.BrH/c11-9(10(13)14)6-3-7-1-4-8(12)5-2-7;/h1-2,4-5,9,12H,3,6,11H2,(H,13,14);1H/t9-;/m0./s1
InChI Key:
URCVTTXLQQVTHD-FVGYRXGTSA-N
SMILES:
OC(=O)[C@H](CCc1ccc(cc1)O)N.Br
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
275.016g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
276.13g/mol
Monoisotopic Mass:
275.016g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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