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694439-04-8 | (4aR,7aS)-rel-Hexahydro-2H-[1,4]dioxino[2,3-c]pyrrole hydrochloride
CAS No: 694439-04-8 Catalog No: AG0039Z2 MDL No:MFCD28902465
Product Description
Catalog Number:
AG0039Z2
Chemical Name:
(4aR,7aS)-rel-Hexahydro-2H-[1,4]dioxino[2,3-c]pyrrole hydrochloride
CAS Number:
694439-04-8
Molecular Formula:
C6H12ClNO2
Molecular Weight:
165.6180
MDL Number:
MFCD28902465
IUPAC Name:
(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-[1,4]dioxino[2,3-c]pyrrole;hydrochloride
InChI:
InChI=1S/C6H11NO2.ClH/c1-2-9-6-4-7-3-5(6)8-1;/h5-7H,1-4H2;1H/t5-,6+;
InChI Key:
SNMOUDJYJUGNLH-KNCHESJLSA-N
SMILES:
C1CO[C@H]2[C@@H](O1)CNC2.Cl
Properties
Complexity:
95.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
165.056g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.617g/mol
Monoisotopic Mass:
165.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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