Home Aminos Benzoic acid, 2-(3,6-diamino-9H-xanthen-9-yl)-, methyl ester

Benzoic acid, 2-(3,6-diamino-9H-xanthen-9-yl)-, methyl ester

CAS No.:
109244-58-8
Catalog Number:
AG01CP7U
Molecular Formula:
C21H18N2O3
Molecular Weight:
346.3792
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$97
- +
5mg
≥98%
1 week
United States
$168
- +
10mg
≥98%
1 week
United States
$258
- +
25mg
≥98%
1 week
United States
$510
- +
Product Description
Catalog Number:
AG01CP7U
Chemical Name:
Benzoic acid, 2-(3,6-diamino-9H-xanthen-9-yl)-, methyl ester
CAS Number:
109244-58-8
Molecular Formula:
C21H18N2O3
Molecular Weight:
346.3792
MDL Number:
MFCD04221428
IUPAC Name:
methyl 2-(3,6-diamino-9H-xanthen-9-yl)benzoate
InChI:
InChI=1S/C21H18N2O3/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20/h2-11,20H,22-23H2,1H3
InChI Key:
FNEZBBILNYNQGC-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1C1c2ccc(cc2Oc2c1ccc(c2)N)N
Properties
Complexity:
488  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.132g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
346.386g/mol
Monoisotopic Mass:
346.132g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
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Properties