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Home Aminos Boc-4-amino-3-methylbenzoic acid

Boc-4-amino-3-methylbenzoic acid

CAS No.:
180976-94-7
Catalog Number:
AG0022I2
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$63
- +
1g
97%
In Stock USA
United States
$169
- +
5g
97%
In Stock USA
United States
$563
- +
10g
97%
In Stock USA
United States
$938
- +
25g
97%
In Stock USA
United States
$1875
- +
Product Description
Catalog Number:
AG0022I2
Chemical Name:
Boc-4-amino-3-methylbenzoic acid
CAS Number:
180976-94-7
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
MDL Number:
MFCD02682225
IUPAC Name:
3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
InChI:
InChI=1S/C13H17NO4/c1-8-7-9(11(15)16)5-6-10(8)14-12(17)18-13(2,3)4/h5-7H,1-4H3,(H,14,17)(H,15,16)
InChI Key:
DATSAXPXARPPIG-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc(cc1C)C(=O)O
Properties
Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.116g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
251.282g/mol
Monoisotopic Mass:
251.116g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties