sales@angenesci.com
Login | Register
logo
Structures Search
Home Nitriles 6-Isopropyl-4-oxo-4h-chromene-3-carbonitrile

6-Isopropyl-4-oxo-4h-chromene-3-carbonitrile

CAS No.:
50743-32-3
Catalog Number:
AG00I93S
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(GC)
In Stock USA
United States
$132
- +
5g
98%(GC)
In Stock USA
United States
$354
- +
10g
98%(GC)
In Stock USA
United States
$539
- +
25g
98%(GC)
In Stock USA
United States
$1057
- +
Product Description
Catalog Number:
AG00I93S
Chemical Name:
6-Isopropyl-4-oxo-4h-chromene-3-carbonitrile
CAS Number:
50743-32-3
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
MDL Number:
MFCD00191961
IUPAC Name:
4-oxo-6-propan-2-ylchromene-3-carbonitrile
InChI:
InChI=1S/C13H11NO2/c1-8(2)9-3-4-12-11(5-9)13(15)10(6-14)7-16-12/h3-5,7-8H,1-2H3
InChI Key:
IMVAJLIIWCJMJP-UHFFFAOYSA-N
SMILES:
N#Cc1coc2c(c1=O)cc(cc2)C(C)C
Properties
Complexity:
375  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.079g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties