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138366-31-1

138366-31-1 | Cyclohexanemethanol, 1-hydroxy-4-(1-methylethenyl)-2-(phenylseleno)-

CAS No: 138366-31-1 Catalog No: AG0018NE MDL No:

Product Description

Catalog Number:
AG0018NE
Chemical Name:
Cyclohexanemethanol, 1-hydroxy-4-(1-methylethenyl)-2-(phenylseleno)-
CAS Number:
138366-31-1
Molecular Formula:
C16H22O2Se
Molecular Weight:
325.3047
IUPAC Name:
1-(hydroxymethyl)-2-phenylselanyl-4-prop-1-en-2-ylcyclohexan-1-ol
InChI:
InChI=1S/C16H22O2Se/c1-12(2)13-8-9-16(18,11-17)15(10-13)19-14-6-4-3-5-7-14/h3-7,13,15,17-18H,1,8-11H2,2H3
InChI Key:
FNRHBMWLEIPGMC-UHFFFAOYSA-N
SMILES:
OCC1(O)CCC(CC1[Se]c1ccccc1)C(=C)C

Properties

Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.079g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
325.321g/mol
Monoisotopic Mass:
326.079g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0

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