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Home Carboxys 3-Chromanecarboxylic acid

3-Chromanecarboxylic acid

CAS No.:
115822-57-6
Catalog Number:
AG000GWQ
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$32
- +
5g
98%
In Stock USA
United States
$107
- +
Product Description
Catalog Number:
AG000GWQ
Chemical Name:
3-Chromanecarboxylic acid
CAS Number:
115822-57-6
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
MDL Number:
MFCD03783554
IUPAC Name:
3,4-dihydro-2H-chromene-3-carboxylic acid
InChI:
InChI=1S/C10H10O3/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-4,8H,5-6H2,(H,11,12)
InChI Key:
UGAGZMGJJFSKQM-UHFFFAOYSA-N
SMILES:
OC(=O)C1COc2c(C1)cccc2
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.063g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
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