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173850-53-8 | Piperazine, 1-[(3-methyl-5-isoxazolyl)methyl]- (9CI)
CAS No: 173850-53-8 Catalog No: AG00BA94 MDL No:MFCD08444202
Product Description
Catalog Number:
AG00BA94
Chemical Name:
Piperazine, 1-[(3-methyl-5-isoxazolyl)methyl]- (9CI)
CAS Number:
173850-53-8
Molecular Formula:
C9H15N3O
Molecular Weight:
181.2349
MDL Number:
MFCD08444202
IUPAC Name:
3-methyl-5-(piperazin-1-ylmethyl)-1,2-oxazole
InChI:
InChI=1S/C9H15N3O/c1-8-6-9(13-11-8)7-12-4-2-10-3-5-12/h6,10H,2-5,7H2,1H3
InChI Key:
IICSMQOSSHSZLK-UHFFFAOYSA-N
SMILES:
Cc1noc(c1)CN1CCNCC1
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.122g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.239g/mol
Monoisotopic Mass:
181.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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