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Home Other Building Blocks 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid

3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid

CAS No.:
129042-60-0
Catalog Number:
AG000YSI
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
In Stock USA
United States
$75
- +
500mg
In Stock USA
United States
$130
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1g
In Stock USA
United States
$228
- +
2.5g
In Stock USA
United States
$485
- +
5g
In Stock USA
United States
$887
- +
10g
In Stock USA
United States
$1623
- +
Product Description
Catalog Number:
AG000YSI
Chemical Name:
3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid
CAS Number:
129042-60-0
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
MDL Number:
MFCD00736965
IUPAC Name:
3-amino-3-(1,3-benzodioxol-5-yl)propanoic acid
InChI:
InChI=1S/C10H11NO4/c11-7(4-10(12)13)6-1-2-8-9(3-6)15-5-14-8/h1-3,7H,4-5,11H2,(H,12,13)
InChI Key:
DJWMFJZOSZPAHI-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccc2c(c1)OCO2)N
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.069g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
209.201g/mol
Monoisotopic Mass:
209.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties