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114519-05-0 | Propanoic acid, 2-azido-3-(phenylmethoxy)-, (2S)-
CAS No: 114519-05-0 Catalog No: AG000EMD MDL No:
Product Description
Catalog Number:
AG000EMD
Chemical Name:
Propanoic acid, 2-azido-3-(phenylmethoxy)-, (2S)-
CAS Number:
114519-05-0
Molecular Formula:
C10H11N3O3
Molecular Weight:
221.2126
IUPAC Name:
2-azido-3-phenylmethoxypropanoic acid
InChI:
InChI=1S/C10H11N3O3/c11-13-12-9(10(14)15)7-16-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,14,15)
InChI Key:
PKDMVXDVKOWUKJ-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=N[C@H](C(=O)O)COCc1ccccc1
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.216g/mol
Monoisotopic Mass:
221.08g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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