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120190-61-6 | 1-Nonene-3,4-diol, (3S,4S)-
CAS No: 120190-61-6 Catalog No: AG000QJX MDL No:
Product Description
Catalog Number:
AG000QJX
Chemical Name:
1-Nonene-3,4-diol, (3S,4S)-
CAS Number:
120190-61-6
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
IUPAC Name:
non-1-ene-3,4-diol
InChI:
InChI=1S/C9H18O2/c1-3-5-6-7-9(11)8(10)4-2/h4,8-11H,2-3,5-7H2,1H3
InChI Key:
HDCRTDYFAHZMJM-UHFFFAOYSA-N
SMILES:
CCCCC[C@@H]([C@H](C=C)O)O
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.131g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.241g/mol
Monoisotopic Mass:
158.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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