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114954-48-2 | 1-Decen-4-ol, 3-methyl-
CAS No: 114954-48-2 Catalog No: AG000FH4 MDL No:
Product Description
Catalog Number:
AG000FH4
Chemical Name:
1-Decen-4-ol, 3-methyl-
CAS Number:
114954-48-2
Molecular Formula:
C11H22O
Molecular Weight:
170.2918
IUPAC Name:
3-methyldec-1-en-4-ol
InChI:
InChI=1S/C11H22O/c1-4-6-7-8-9-11(12)10(3)5-2/h5,10-12H,2,4,6-9H2,1,3H3
InChI Key:
LKBYKZFQGOQMHR-UHFFFAOYSA-N
SMILES:
CCCCCCC(C(C=C)C)O
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.167g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.296g/mol
Monoisotopic Mass:
170.167g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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