Home Carboxys 7-Amino-4-carboxymethylcoumarin

7-Amino-4-carboxymethylcoumarin

CAS No.:
85157-21-7
Catalog Number:
AG008G4C
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
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Product Description
Catalog Number:
AG008G4C
Chemical Name:
7-Amino-4-carboxymethylcoumarin
CAS Number:
85157-21-7
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
MDL Number:
MFCD13185880
IUPAC Name:
2-(7-amino-2-oxochromen-4-yl)acetic acid
InChI:
InChI=1S/C11H9NO4/c12-7-1-2-8-6(3-10(13)14)4-11(15)16-9(8)5-7/h1-2,4-5H,3,12H2,(H,13,14)
InChI Key:
BPASMQQUFOLZCT-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(=O)oc2c1ccc(c2)N
Properties
Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.053g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
219.196g/mol
Monoisotopic Mass:
219.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
[Fluorescence-based determination of enzyme activity of recombinant CYPS1B1 (sterol 14alpha-demethylase) with coumarin derivatives]. Biomeditsinskaia khimiia 20100101
Properties