sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys 5-(Hydroxymethyl)-3-phenyl-4-isoxazolecarboxylic acid ethyl ester

5-(Hydroxymethyl)-3-phenyl-4-isoxazolecarboxylic acid ethyl ester

CAS No.:
95104-44-2
Catalog Number:
AG00IIQT
Molecular Formula:
C13H13NO4
Molecular Weight:
247.2466
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$97
- +
250mg
95%
In Stock USA
United States
$189
- +
1g
95%
In Stock USA
United States
$378
- +
5g
95%
In Stock USA
United States
$1134
- +
Product Description
Catalog Number:
AG00IIQT
Chemical Name:
5-(Hydroxymethyl)-3-phenyl-4-isoxazolecarboxylic acid ethyl ester
CAS Number:
95104-44-2
Molecular Formula:
C13H13NO4
Molecular Weight:
247.2466
MDL Number:
MFCD22123831
IUPAC Name:
ethyl 5-(hydroxymethyl)-3-phenyl-1,2-oxazole-4-carboxylate
InChI:
InChI=1S/C13H13NO4/c1-2-17-13(16)11-10(8-15)18-14-12(11)9-6-4-3-5-7-9/h3-7,15H,2,8H2,1H3
InChI Key:
AVLKCZAQGPKKKF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(CO)onc1c1ccccc1
Properties
Complexity:
278  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.084g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
247.25g/mol
Monoisotopic Mass:
247.084g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties