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137964-82-0 | Benzoic acid, 2-azido-6-(methoxymethoxy)-4-methyl-, ethyl ester
CAS No: 137964-82-0 Catalog No: AG0017R5 MDL No:
Product Description
Catalog Number:
AG0017R5
Chemical Name:
Benzoic acid, 2-azido-6-(methoxymethoxy)-4-methyl-, ethyl ester
CAS Number:
137964-82-0
Molecular Formula:
C12H15N3O4
Molecular Weight:
265.2652
IUPAC Name:
ethyl 2-azido-6-(methoxymethoxy)-4-methylbenzoate
InChI:
InChI=1S/C12H15N3O4/c1-4-18-12(16)11-9(14-15-13)5-8(2)6-10(11)19-7-17-3/h5-6H,4,7H2,1-3H3
InChI Key:
OQSAGFJFAXVHLF-UHFFFAOYSA-N
SMILES:
COCOc1cc(C)cc(c1C(=O)OCC)N=[N+]=[N-]
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.269g/mol
Monoisotopic Mass:
265.106g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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