Home Carboxys 2H-Chromene-3-carboxylic acid

2H-Chromene-3-carboxylic acid

CAS No.:
22649-28-1
Catalog Number:
AG00BDLI
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$69
- +
5g
98%
In Stock USA
United States
$207
- +
25g
98%
In Stock USA
United States
$723
- +
Product Description
Catalog Number:
AG00BDLI
Chemical Name:
2H-Chromene-3-carboxylic acid
CAS Number:
22649-28-1
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
MDL Number:
MFCD00202020
IUPAC Name:
2H-chromene-3-carboxylic acid
InChI:
InChI=1S/C10H8O3/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2,(H,11,12)
InChI Key:
DEBZQUFVQZPPLC-UHFFFAOYSA-N
SMILES:
OC(=O)C1=Cc2c(OC1)cccc2
NSC Number:
279235
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.047g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.171g/mol
Monoisotopic Mass:
176.047g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties