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1381947-67-6 | 1-Azetidinecarboxylic acid, 3-(3-hydroxypropyl)-, phenylmethyl ester
CAS No: 1381947-67-6 Catalog No: AG001887 MDL No:
Product Description
Catalog Number:
AG001887
Chemical Name:
1-Azetidinecarboxylic acid, 3-(3-hydroxypropyl)-, phenylmethyl ester
CAS Number:
1381947-67-6
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
IUPAC Name:
benzyl 3-(3-hydroxypropyl)azetidine-1-carboxylate
InChI:
InChI=1S/C14H19NO3/c16-8-4-7-13-9-15(10-13)14(17)18-11-12-5-2-1-3-6-12/h1-3,5-6,13,16H,4,7-11H2
InChI Key:
BVWXHGOAFMGCKA-UHFFFAOYSA-N
SMILES:
OCCCC1CN(C1)C(=O)OCc1ccccc1
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.31g/mol
Monoisotopic Mass:
249.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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