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1009367-63-8 | 1-Azetidinecarboxylic acid, 3-(2H-tetrazol-5-yl)-, 1,1-diMethylethyl ester
CAS No: 1009367-63-8 Catalog No: AG00038R MDL No:MFCD24038945
Product Description
Catalog Number:
AG00038R
Chemical Name:
1-Azetidinecarboxylic acid, 3-(2H-tetrazol-5-yl)-, 1,1-diMethylethyl ester
CAS Number:
1009367-63-8
Molecular Formula:
C9H15N5O2
Molecular Weight:
225.2477
MDL Number:
MFCD24038945
IUPAC Name:
tert-butyl 3-(2H-tetrazol-5-yl)azetidine-1-carboxylate
InChI:
InChI=1S/C9H15N5O2/c1-9(2,3)16-8(15)14-4-6(5-14)7-10-12-13-11-7/h6H,4-5H2,1-3H3,(H,10,11,12,13)
InChI Key:
YNNZWLQTTLFNGO-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C1)c1n[nH]nn1)OC(C)(C)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.123g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.252g/mol
Monoisotopic Mass:
225.123g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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