Home Other Building Blocks methyl 4-isocyanato-3-methylbenzoate

methyl 4-isocyanato-3-methylbenzoate

CAS No.:
864296-43-5
Catalog Number:
AG01B3G9
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$149
- +
1g
1 week
United States
$260
- +
5g
1 week
United States
$927
- +
25g
1 week
United States
$3594
- +
Product Description
Catalog Number:
AG01B3G9
Chemical Name:
methyl 4-isocyanato-3-methylbenzoate
CAS Number:
864296-43-5
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD22557580
IUPAC Name:
methyl 4-isocyanato-3-methylbenzoate
InChI:
InChI=1S/C10H9NO3/c1-7-5-8(10(13)14-2)3-4-9(7)11-6-12/h3-5H,1-2H3
InChI Key:
ZYQLIHZHKCNJCV-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1C)C(=O)OC
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties