Home Carboxys 5-Methoxychroman-3-carboxylic acid

5-Methoxychroman-3-carboxylic acid

CAS No.:
112904-78-6
Catalog Number:
AG01BAOT
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$337
- +
Product Description
Catalog Number:
AG01BAOT
Chemical Name:
5-Methoxychroman-3-carboxylic acid
CAS Number:
112904-78-6
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
MDL Number:
MFCD18711521
IUPAC Name:
5-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
InChI:
InChI=1S/C11H12O4/c1-14-9-3-2-4-10-8(9)5-7(6-15-10)11(12)13/h2-4,7H,5-6H2,1H3,(H,12,13)
InChI Key:
XMGAJGALUQJCQE-UHFFFAOYSA-N
SMILES:
COc1cccc2c1CC(CO2)C(=O)O
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties