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130675-11-5

130675-11-5 | 2H-Pyran-2-ol, 4-ethenyltetrahydro-4-methyl-6-[(phenylmethoxy)methyl]-

CAS No: 130675-11-5 Catalog No: AG000URS MDL No:

Product Description

Catalog Number:
AG000URS
Chemical Name:
2H-Pyran-2-ol, 4-ethenyltetrahydro-4-methyl-6-[(phenylmethoxy)methyl]-
CAS Number:
130675-11-5
Molecular Formula:
C16H22O3
Molecular Weight:
262.3441
IUPAC Name:
(4S,6R)-4-ethenyl-4-methyl-6-(phenylmethoxymethyl)oxan-2-ol
InChI:
InChI=1S/C16H22O3/c1-3-16(2)9-14(19-15(17)10-16)12-18-11-13-7-5-4-6-8-13/h3-8,14-15,17H,1,9-12H2,2H3/t14-,15?,16+/m1/s1
InChI Key:
ZCYLFFKMWRKJFB-TUOGLVOQSA-N
SMILES:
C=CC1(C)CC(COCc2ccccc2)OC(C1)O

Properties

Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
262.157g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
262.349g/mol
Monoisotopic Mass:
262.157g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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