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1864003-41-7 | rac-(3aS,7aR)-hexahydro[1,3]oxazolo[4,5-c]pyridin-2(3H)-one hydrochloride
CAS No: 1864003-41-7 Catalog No: AG00J3A7 MDL No:MFCD28894249
Product Description
Catalog Number:
AG00J3A7
Chemical Name:
rac-(3aS,7aR)-hexahydro[1,3]oxazolo[4,5-c]pyridin-2(3H)-one hydrochloride
CAS Number:
1864003-41-7
Molecular Formula:
C6H11ClN2O2
Molecular Weight:
178.6167
MDL Number:
MFCD28894249
IUPAC Name:
(3aS,7aR)-3a,4,5,6,7,7a-hexahydro-3H-[1,3]oxazolo[4,5-c]pyridin-2-one;hydrochloride
InChI:
InChI=1S/C6H10N2O2.ClH/c9-6-8-4-3-7-2-1-5(4)10-6;/h4-5,7H,1-3H2,(H,8,9);1H/t4-,5+;/m0./s1
InChI Key:
VNPRMKVACJOTFQ-UYXJWNHNSA-N
SMILES:
O=C1N[C@@H]2[C@H](O1)CCNC2.Cl
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
178.051g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
178.616g/mol
Monoisotopic Mass:
178.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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