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87970-24-9 | 3-Buten-1-ol, 2-[[(tetrahydro-2H-pyran-2-yl)oxy]methyl]-
CAS No: 87970-24-9 Catalog No: AG004IFG MDL No:
Product Description
Catalog Number:
AG004IFG
Chemical Name:
3-Buten-1-ol, 2-[[(tetrahydro-2H-pyran-2-yl)oxy]methyl]-
CAS Number:
87970-24-9
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
IUPAC Name:
2-(oxan-2-yloxymethyl)but-3-en-1-ol
InChI:
InChI=1S/C10H18O3/c1-2-9(7-11)8-13-10-5-3-4-6-12-10/h2,9-11H,1,3-8H2
InChI Key:
UFYDMQCKEYPUOD-UHFFFAOYSA-N
SMILES:
OCC(COC1CCCCO1)C=C
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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