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Home > Aldehydes > 201748-24-5
201748-24-5 | 2-Azetidinecarboxaldehyde, 4-oxo-3-phenoxy-1-(2-propen-1-yl)-, (2R,3R)-
CAS No: 201748-24-5 Catalog No: AG0027TH MDL No:
Product Description
Catalog Number:
AG0027TH
Chemical Name:
2-Azetidinecarboxaldehyde, 4-oxo-3-phenoxy-1-(2-propen-1-yl)-, (2R,3R)-
CAS Number:
201748-24-5
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
IUPAC Name:
(2R,3R)-4-oxo-3-phenoxy-1-prop-2-enylazetidine-2-carbaldehyde
InChI:
InChI=1S/C13H13NO3/c1-2-8-14-11(9-15)12(13(14)16)17-10-6-4-3-5-7-10/h2-7,9,11-12H,1,8H2/t11-,12+/m0/s1
InChI Key:
ZJICCALHBQBRCU-NWDGAFQWSA-N
SMILES:
O=C[C@@H]1N(CC=C)C(=O)[C@@H]1Oc1ccccc1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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