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Z-Dab-oh

CAS No.:
62234-40-6
Catalog Number:
AG00361O
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$54
- +
5g
95%
In Stock USA
United States
$165
- +
10g
95%
In Stock USA
United States
$262
- +
25g
95%
In Stock USA
United States
$505
- +
Product Description
Catalog Number:
AG00361O
Chemical Name:
Z-Dab-oh
CAS Number:
62234-40-6
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
MDL Number:
MFCD00077904
IUPAC Name:
(2S)-4-amino-2-(phenylmethoxycarbonylamino)butanoic acid
InChI:
InChI=1S/C12H16N2O4/c13-7-6-10(11(15)16)14-12(17)18-8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,14,17)(H,15,16)/t10-/m0/s1
InChI Key:
KXMSCBRTBLPGIN-JTQLQIEISA-N
SMILES:
NCC[C@@H](C(=O)O)NC(=O)OCc1ccccc1
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
252.111g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
252.27g/mol
Monoisotopic Mass:
252.111g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8  
Properties