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Home > Other Heterocycles > 76362-18-0
76362-18-0 | [1-(7,10-dioxabicyclo[4.4.0]deca-1,3,5-trien-9-ylmethyl)-4-piperidyl]- (4-methylphenyl)methanone hydrochloride
CAS No: 76362-18-0 Catalog No: AG00GQ0M MDL No:
Product Description
Catalog Number:
AG00GQ0M
Chemical Name:
[1-(7,10-dioxabicyclo[4.4.0]deca-1,3,5-trien-9-ylmethyl)-4-piperidyl]- (4-methylphenyl)methanone hydrochloride
CAS Number:
76362-18-0
IUPAC Name:
[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-(4-methylphenyl)methanone;hydrochloride
InChI:
InChI=1S/C22H25NO3.ClH/c1-16-6-8-17(9-7-16)22(24)18-10-12-23(13-11-18)14-19-15-25-20-4-2-3-5-21(20)26-19;/h2-9,18-19H,10-15H2,1H3;1H
InChI Key:
NKLKOAUYGVGPTN-UHFFFAOYSA-N
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.16g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
387.904g/mol
Monoisotopic Mass:
387.16g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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