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100334-48-3 | 5-Hexen-3-ol, 3-methyl-, (3R)-
CAS No: 100334-48-3 Catalog No: AG0001N1 MDL No:
Product Description
Catalog Number:
AG0001N1
Chemical Name:
5-Hexen-3-ol, 3-methyl-, (3R)-
CAS Number:
100334-48-3
Molecular Formula:
C7H14O
Molecular Weight:
114.1855
IUPAC Name:
3-methylhex-5-en-3-ol
InChI:
InChI=1S/C7H14O/c1-4-6-7(3,8)5-2/h4,8H,1,5-6H2,2-3H3
InChI Key:
GBARKLJMQRUBKV-UHFFFAOYSA-N
SMILES:
C[C@@](CC)(CC=C)O
Properties
Complexity:
78.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.104g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
114.188g/mol
Monoisotopic Mass:
114.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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