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119494-28-9 | Butanoic acid, 4-azido-3-hydroxy-, methyl ester
CAS No: 119494-28-9 Catalog No: AG000IVH MDL No:
Product Description
Catalog Number:
AG000IVH
Chemical Name:
Butanoic acid, 4-azido-3-hydroxy-, methyl ester
CAS Number:
119494-28-9
Molecular Formula:
C5H9N3O3
Molecular Weight:
159.1433
IUPAC Name:
methyl 4-azido-3-hydroxybutanoate
InChI:
InChI=1S/C5H9N3O3/c1-11-5(10)2-4(9)3-7-8-6/h4,9H,2-3H2,1H3
InChI Key:
OCHWGGFGBGWTAV-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCC(CC(=O)OC)O
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.064g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.145g/mol
Monoisotopic Mass:
159.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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