Home Carboxys 5H-Benzocycloheptene-8-carboxylic acid, 3,4,6-trihydroxy-2-methoxy-5-oxo-, hexyl ester

5H-Benzocycloheptene-8-carboxylic acid, 3,4,6-trihydroxy-2-methoxy-5-oxo-, hexyl ester

CAS No.:
1416324-85-0
Catalog Number:
AG00A0MW
Molecular Formula:
C19H22O7
Molecular Weight:
362.3738
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$237
- +
10mg
99%
1 week
United States
$362
- +
25mg
99%
1 week
United States
$640
- +
Product Description
Catalog Number:
AG00A0MW
Chemical Name:
5H-Benzocycloheptene-8-carboxylic acid, 3,4,6-trihydroxy-2-methoxy-5-oxo-, hexyl ester
CAS Number:
1416324-85-0
Molecular Formula:
C19H22O7
Molecular Weight:
362.3738
MDL Number:
MFCD26406409
IUPAC Name:
hexyl 3,4,5-trihydroxy-2-methoxy-6-oxobenzo[7]annulene-8-carboxylate
InChI:
InChI=1S/C19H22O7/c1-3-4-5-6-7-26-19(24)12-8-11-10-14(25-2)17(22)18(23)15(11)16(21)13(20)9-12/h8-10,22-23H,3-7H2,1-2H3,(H,20,21)
InChI Key:
UBQFTTUFRSSOHE-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)c1cc(O)c(=O)c2c(c1)cc(OC)c(c2O)O
Properties
Complexity:
763  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.137g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
362.378g/mol
Monoisotopic Mass:
362.137g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties