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259186-02-2 | Benzenamine, 2-(2-cyclohexen-1-yl)-6-methoxy-
CAS No: 259186-02-2 Catalog No: AG002R12 MDL No:
Product Description
Catalog Number:
AG002R12
Chemical Name:
Benzenamine, 2-(2-cyclohexen-1-yl)-6-methoxy-
CAS Number:
259186-02-2
Molecular Formula:
C13H17NO
Molecular Weight:
203.2802
IUPAC Name:
2-cyclohex-2-en-1-yl-6-methoxyaniline
InChI:
InChI=1S/C13H17NO/c1-15-12-9-5-8-11(13(12)14)10-6-3-2-4-7-10/h3,5-6,8-10H,2,4,7,14H2,1H3
InChI Key:
ULIAHEPWLLQDEB-UHFFFAOYSA-N
SMILES:
COc1cccc(c1N)C1CCCC=C1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.285g/mol
Monoisotopic Mass:
203.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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