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Home Other Building Blocks 2H-3,1-Benzoxazine-2,4(1H)-dione, 5-methyl-

2H-3,1-Benzoxazine-2,4(1H)-dione, 5-methyl-

CAS No.:
20877-81-0
Catalog Number:
AG002JW3
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
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Product Description
Catalog Number:
AG002JW3
Chemical Name:
2H-3,1-Benzoxazine-2,4(1H)-dione, 5-methyl-
CAS Number:
20877-81-0
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD00797331
IUPAC Name:
5-methyl-1H-3,1-benzoxazine-2,4-dione
InChI:
InChI=1S/C9H7NO3/c1-5-3-2-4-6-7(5)8(11)13-9(12)10-6/h2-4H,1H3,(H,10,12)
InChI Key:
KJBDXWPWJNDBOS-UHFFFAOYSA-N
SMILES:
O=c1oc(=O)c2c([nH]1)cccc2C
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Fluorescent analogs of UDP-glucose and their use in characterizing substrate binding by toxin A from Clostridium difficile. European journal of biochemistry 20020701
Properties