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Home Other Building Blocks 6-Acetyl-2(3h)-benzoxazolone

6-Acetyl-2(3h)-benzoxazolone

CAS No.:
54903-09-2
Catalog Number:
AG0034BH
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$69
- +
5g
95%
In Stock USA
United States
$201
- +
Product Description
Catalog Number:
AG0034BH
Chemical Name:
6-Acetyl-2(3h)-benzoxazolone
CAS Number:
54903-09-2
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD01664312
IUPAC Name:
6-acetyl-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C9H7NO3/c1-5(11)6-2-3-7-8(4-6)13-9(12)10-7/h2-4H,1H3,(H,10,12)
InChI Key:
QXBNAXVXLAHDTE-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc2c(c1)oc(=O)[nH]2
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:
1  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
A neutral diphosphate mimic crosslinks the active site of human O-GlcNAc transferase. Nature chemical biology 20120101
Properties