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Home Carboxys 2-oxo-1,2-dihydro-4-quinazolinecarboxylic acid hydrate

2-oxo-1,2-dihydro-4-quinazolinecarboxylic acid hydrate

CAS No.:
1609403-74-8
Catalog Number:
AG00J3G1
Molecular Formula:
C9H8N2O4
Molecular Weight:
208.1708
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$358
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Product Description
Catalog Number:
AG00J3G1
Chemical Name:
2-oxo-1,2-dihydro-4-quinazolinecarboxylic acid hydrate
CAS Number:
1609403-74-8
Molecular Formula:
C9H8N2O4
Molecular Weight:
208.1708
MDL Number:
MFCD26959513
IUPAC Name:
2-oxo-1H-quinazoline-4-carboxylic acid;hydrate
InChI:
InChI=1S/C9H6N2O3.H2O/c12-8(13)7-5-3-1-2-4-6(5)10-9(14)11-7;/h1-4H,(H,12,13)(H,10,11,14);1H2
InChI Key:
NIHPJHDPVITDCH-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2ccccc2c(n1)C(=O)O.O
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.048g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
208.173g/mol
Monoisotopic Mass:
208.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties