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1119449-44-3 | 6-methyl-2-piperidin-3-yl-1,3-benzoxazole
CAS No: 1119449-44-3 Catalog No: AG00HC7F MDL No:MFCD12030744
Product Description
Catalog Number:
AG00HC7F
Chemical Name:
6-methyl-2-piperidin-3-yl-1,3-benzoxazole
CAS Number:
1119449-44-3
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
MDL Number:
MFCD12030744
IUPAC Name:
6-methyl-2-piperidin-3-yl-1,3-benzoxazole;hydrochloride
InChI:
InChI=1S/C13H16N2O.ClH/c1-9-4-5-11-12(7-9)16-13(15-11)10-3-2-6-14-8-10;/h4-5,7,10,14H,2-3,6,8H2,1H3;1H
InChI Key:
YCUOVDGRXHBBPY-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)oc(n2)C1CCCNC1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.103g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.742g/mol
Monoisotopic Mass:
252.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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