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Home Carboxys 3,4-Dihydro-1h-2-benzopyran-1-carboxylic acid

3,4-Dihydro-1h-2-benzopyran-1-carboxylic acid

CAS No.:
13328-85-3
Catalog Number:
AG0014IW
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥ 99% (Assay)
1 week
United States
$133
- +
250mg
≥ 99% (Assay)
1 week
United States
$228
- +
1g
≥ 99% (Assay)
1 week
United States
$403
- +
5g
≥ 99% (Assay)
1 week
United States
$1778
- +
Product Description
Catalog Number:
AG0014IW
Chemical Name:
3,4-Dihydro-1h-2-benzopyran-1-carboxylic acid
CAS Number:
13328-85-3
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
MDL Number:
MFCD00457636
IUPAC Name:
3,4-dihydro-1H-isochromene-1-carboxylic acid
InChI:
InChI=1S/C10H10O3/c11-10(12)9-8-4-2-1-3-7(8)5-6-13-9/h1-4,9H,5-6H2,(H,11,12)
InChI Key:
ZHCPCHSZBGPHCK-UHFFFAOYSA-N
SMILES:
OC(=O)C1OCCc2c1cccc2
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:
1.4  
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