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Home Nitros Boc-beta-alanine 4-nitrophenyl ester

Boc-beta-alanine 4-nitrophenyl ester

CAS No.:
17547-09-0
Catalog Number:
AG0077HF
Molecular Formula:
C14H18N2O6
Molecular Weight:
310.3025
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$50
- +
5g
98%
In Stock USA
United States
$188
- +
25g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG0077HF
Chemical Name:
Boc-beta-alanine 4-nitrophenyl ester
CAS Number:
17547-09-0
Molecular Formula:
C14H18N2O6
Molecular Weight:
310.3025
MDL Number:
MFCD00057613
IUPAC Name:
(4-nitrophenyl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
InChI:
InChI=1S/C14H18N2O6/c1-14(2,3)22-13(18)15-9-8-12(17)21-11-6-4-10(5-7-11)16(19)20/h4-7H,8-9H2,1-3H3,(H,15,18)
InChI Key:
NQNGYJVVBTUENI-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccc(cc1)[N+](=O)[O-])CCNC(=O)OC(C)(C)C
Properties
Complexity:
405  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.116g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
310.306g/mol
Monoisotopic Mass:
310.116g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties