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122313-76-2 | 2,6-Octadien-1-ol, 3,7-dimethyl-, phenylcarbamate, (2Z)- (9CI)
CAS No: 122313-76-2 Catalog No: AG001732 MDL No:
Product Description
Catalog Number:
AG001732
Chemical Name:
2,6-Octadien-1-ol, 3,7-dimethyl-, phenylcarbamate, (2Z)- (9CI)
CAS Number:
122313-76-2
Molecular Formula:
C17H23NO2
Molecular Weight:
273.3700
IUPAC Name:
3,7-dimethylocta-2,6-dien-1-ol;phenylcarbamic acid
InChI:
InChI=1S/C10H18O.C7H7NO2/c1-9(2)5-4-6-10(3)7-8-11;9-7(10)8-6-4-2-1-3-5-6/h5,7,11H,4,6,8H2,1-3H3;1-5,8H,(H,9,10)
InChI Key:
MKHNKCFQAFQMOT-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)OC/C=C(\CCC=C(C)C)/C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.183g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
291.391g/mol
Monoisotopic Mass:
291.183g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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