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88347-79-9 | Propanoic acid, 2-azido-3-[(2-methoxy-2-oxoethyl)thio]-, methyl ester
CAS No: 88347-79-9 Catalog No: AG00479Z MDL No:
Product Description
Catalog Number:
AG00479Z
Chemical Name:
Propanoic acid, 2-azido-3-[(2-methoxy-2-oxoethyl)thio]-, methyl ester
CAS Number:
88347-79-9
Molecular Formula:
C7H11N3O4S
Molecular Weight:
233.2449
IUPAC Name:
methyl 2-azido-3-(2-methoxy-2-oxoethyl)sulfanylpropanoate
InChI:
InChI=1S/C7H11N3O4S/c1-13-6(11)4-15-3-5(9-10-8)7(12)14-2/h5H,3-4H2,1-2H3
InChI Key:
BWQWRUBHNRYZQJ-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NC(C(=O)OC)CSCC(=O)OC
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.047g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.242g/mol
Monoisotopic Mass:
233.047g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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