Home Carboxys Methyl guaiazulene-3-carboxylate

Methyl guaiazulene-3-carboxylate

CAS No.:
39665-58-2
Catalog Number:
AG003S0C
Molecular Formula:
C17H20O2
Molecular Weight:
256.3395
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$75
- +
5g
97%
In Stock USA
United States
$188
- +
25g
97%
In Stock USA
United States
$375
- +
100g
97%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG003S0C
Chemical Name:
Methyl guaiazulene-3-carboxylate
CAS Number:
39665-58-2
Molecular Formula:
C17H20O2
Molecular Weight:
256.3395
MDL Number:
MFCD06204039
IUPAC Name:
methyl 3,8-dimethyl-5-propan-2-ylazulene-1-carboxylate
InChI:
InChI=1S/C17H20O2/c1-10(2)13-7-6-11(3)16-14(9-13)12(4)8-15(16)17(18)19-5/h6-10H,1-5H3
InChI Key:
ZBFWLEOAFONVHI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(c2c1c(C)ccc(c2)C(C)C)C
Properties
Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.146g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.345g/mol
Monoisotopic Mass:
256.146g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Properties