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Home Other Building Blocks (S)-3-Amino-3-phenylpropionic acid

(S)-3-Amino-3-phenylpropionic acid

CAS No.:
40856-44-8
Catalog Number:
AG003CLT
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$24
- +
5g
>95%
In Stock USA
United States
$47
- +
25g
>95%
In Stock USA
United States
$82
- +
Product Description
Catalog Number:
AG003CLT
Chemical Name:
(S)-3-Amino-3-phenylpropionic acid
CAS Number:
40856-44-8
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD01076238
IUPAC Name:
(3S)-3-amino-3-phenylpropanoic acid
InChI:
InChI=1S/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
InChI Key:
UJOYFRCOTPUKAK-QMMMGPOBSA-N
SMILES:
N[C@H](c1ccccc1)CC(=O)O
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4  
Literature
Title Journal
Isomer differentiation via collision-induced dissociation: the case of protonated alpha-, beta2- and beta3-phenylalanines and their derivatives. Rapid communications in mass spectrometry : RCM 20100630
Properties