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2230800-21-0 | methyl 4H,5H,6H,7H-[1,2]oxazolo[5,4-c]pyridine-3-carboxylate hydrochloride
CAS No: 2230800-21-0 Catalog No: AG01FK75 MDL No:
Product Description
Catalog Number:
AG01FK75
Chemical Name:
methyl 4H,5H,6H,7H-[1,2]oxazolo[5,4-c]pyridine-3-carboxylate hydrochloride
CAS Number:
2230800-21-0
Molecular Formula:
C8H11ClN2O3
Molecular Weight:
218.6375
IUPAC Name:
methyl 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine-3-carboxylate;hydrochloride
InChI:
InChI=1S/C8H10N2O3.ClH/c1-12-8(11)7-5-2-3-9-4-6(5)13-10-7;/h9H,2-4H2,1H3;1H
InChI Key:
HFBUBOPGVJSJQC-UHFFFAOYSA-N
SMILES:
COC(=O)c1noc2c1CCNC2.Cl
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.637g/mol
Monoisotopic Mass:
218.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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