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177947-96-5 | 1-Azetidinecarboxylic acid, 3-formyl-, 1,1-dimethylethyl ester
CAS No: 177947-96-5 Catalog No: AG0025MW MDL No:MFCD06656142
Product Description
Catalog Number:
AG0025MW
Chemical Name:
1-Azetidinecarboxylic acid, 3-formyl-, 1,1-dimethylethyl ester
CAS Number:
177947-96-5
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
MDL Number:
MFCD06656142
IUPAC Name:
tert-butyl 3-formylazetidine-1-carboxylate
InChI:
InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-4-7(5-10)6-11/h6-7H,4-5H2,1-3H3
InChI Key:
JVQOZRRUGOADSU-UHFFFAOYSA-N
SMILES:
O=CC1CN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.223g/mol
Monoisotopic Mass:
185.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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