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123771-63-1 | 2-Hexen-1-ol, 5,5-dimethyl-, (Z)- (9CI)
CAS No: 123771-63-1 Catalog No: AG000L2J MDL No:
Product Description
Catalog Number:
AG000L2J
Chemical Name:
2-Hexen-1-ol, 5,5-dimethyl-, (Z)- (9CI)
CAS Number:
123771-63-1
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
IUPAC Name:
5,5-dimethylhex-2-en-1-ol
InChI:
InChI=1S/C8H16O/c1-8(2,3)6-4-5-7-9/h4-5,9H,6-7H2,1-3H3
InChI Key:
LPVKDQZJUITFCN-UHFFFAOYSA-N
SMILES:
OC/C=C\CC(C)(C)C
Properties
Complexity:
87.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.12g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
128.215g/mol
Monoisotopic Mass:
128.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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