Home Carboxys tert-butyl oxolane-2-carboxylate

tert-butyl oxolane-2-carboxylate

CAS No.:
1342514-34-4
Catalog Number:
AG01B1H8
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
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Product Description
Catalog Number:
AG01B1H8
Chemical Name:
tert-butyl oxolane-2-carboxylate
CAS Number:
1342514-34-4
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
MDL Number:
MFCD19600043
IUPAC Name:
tert-butyl oxolane-2-carboxylate
InChI:
InChI=1S/C9H16O3/c1-9(2,3)12-8(10)7-5-4-6-11-7/h7H,4-6H2,1-3H3
InChI Key:
BNPRLRIPNIPHRO-UHFFFAOYSA-N
SMILES:
O=C(C1CCCO1)OC(C)(C)C
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties