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88786-09-8 | 5-Isoxazolamine, 4-(1-cyclohexen-1-yl)-3-methyl-
CAS No: 88786-09-8 Catalog No: AG004CYT MDL No:MFCD09863845
Product Description
Catalog Number:
AG004CYT
Chemical Name:
5-Isoxazolamine, 4-(1-cyclohexen-1-yl)-3-methyl-
CAS Number:
88786-09-8
Molecular Formula:
C10H14N2O
Molecular Weight:
178.2310
MDL Number:
MFCD09863845
IUPAC Name:
4-(cyclohexen-1-yl)-3-methyl-1,2-oxazol-5-amine
InChI:
InChI=1S/C10H14N2O/c1-7-9(10(11)13-12-7)8-5-3-2-4-6-8/h5H,2-4,6,11H2,1H3
InChI Key:
HSGVZNCMBXGDTD-UHFFFAOYSA-N
SMILES:
Cc1noc(c1C1=CCCCC1)N
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.111g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.235g/mol
Monoisotopic Mass:
178.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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