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Home Carboxys 3-Isopropyl-4,5-dihydroisoxazole-5-carboxylic acid

3-Isopropyl-4,5-dihydroisoxazole-5-carboxylic acid

CAS No.:
1177346-52-9
Catalog Number:
AG00J19B
Molecular Formula:
C7H11NO3
Molecular Weight:
157.1671
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG00J19B
Chemical Name:
3-Isopropyl-4,5-dihydroisoxazole-5-carboxylic acid
CAS Number:
1177346-52-9
Molecular Formula:
C7H11NO3
Molecular Weight:
157.1671
MDL Number:
MFCD09864284
IUPAC Name:
3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C7H11NO3/c1-4(2)5-3-6(7(9)10)11-8-5/h4,6H,3H2,1-2H3,(H,9,10)
InChI Key:
QFVDNZTWHPTZGS-UHFFFAOYSA-N
SMILES:
CC(C1=NOC(C1)C(=O)O)C
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.074g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
157.169g/mol
Monoisotopic Mass:
157.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties