Home Carboxys Spiro[azetidine-3,1'(3'h)-isobenzofuran]-1-carboxylic acid, 5'-acetyl-, 1,1-dimethylethyl ester

Spiro[azetidine-3,1'(3'h)-isobenzofuran]-1-carboxylic acid, 5'-acetyl-, 1,1-dimethylethyl ester

CAS No.:
1398609-81-8
Catalog Number:
AG001BR1
Molecular Formula:
C17H21NO4
Molecular Weight:
303.3529
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$164
- +
1g
97%
1 week
United States
$239
- +
5g
97%
1 week
United States
$644
- +
10g
97%
1 week
United States
$1048
- +
Product Description
Catalog Number:
AG001BR1
Chemical Name:
Spiro[azetidine-3,1'(3'h)-isobenzofuran]-1-carboxylic acid, 5'-acetyl-, 1,1-dimethylethyl ester
CAS Number:
1398609-81-8
Molecular Formula:
C17H21NO4
Molecular Weight:
303.3529
MDL Number:
MFCD27986916
IUPAC Name:
tert-butyl 6-acetylspiro[1H-2-benzofuran-3,3'-azetidine]-1'-carboxylate
InChI:
InChI=1S/C17H21NO4/c1-11(19)12-5-6-14-13(7-12)8-21-17(14)9-18(10-17)15(20)22-16(2,3)4/h5-7H,8-10H2,1-4H3
InChI Key:
GQZFZXWGEAPBCX-UHFFFAOYSA-N
SMILES:
O=C(N1CC2(C1)OCc1c2ccc(c1)C(=O)C)OC(C)(C)C
Properties
Complexity:
476  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.147g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.358g/mol
Monoisotopic Mass:
303.147g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties