Home Other Building Blocks Prop-2-yn-1-yl benzoate

Prop-2-yn-1-yl benzoate

CAS No.:
6750-04-5
Catalog Number:
AG003TZ0
Molecular Formula:
C10H8O2
Molecular Weight:
160.1693
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
1 week
United States
$55
- +
1g
98%
1 week
United States
$63
- +
5g
98%
1 week
United States
$88
- +
25g
98%
1 week
United States
$175
- +
Product Description
Catalog Number:
AG003TZ0
Chemical Name:
Prop-2-yn-1-yl benzoate
CAS Number:
6750-04-5
Molecular Formula:
C10H8O2
Molecular Weight:
160.1693
MDL Number:
MFCD00996341
IUPAC Name:
prop-2-ynyl benzoate
InChI:
InChI=1S/C10H8O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h1,3-7H,8H2
InChI Key:
NBDHEMWCIUHARG-UHFFFAOYSA-N
SMILES:
C#CCOC(=O)c1ccccc1
NSC Number:
349955
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.052g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.172g/mol
Monoisotopic Mass:
160.052g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties