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92175-18-3

92175-18-3 | 5-Hexene-1,3-diol, 5-methyl-

CAS No: 92175-18-3 Catalog No: AG006GQ2 MDL No:

Product Description

Catalog Number:
AG006GQ2
Chemical Name:
5-Hexene-1,3-diol, 5-methyl-
CAS Number:
92175-18-3
Molecular Formula:
C7H14O2
Molecular Weight:
130.1849
IUPAC Name:
5-methylhex-5-ene-1,3-diol
InChI:
InChI=1S/C7H14O2/c1-6(2)5-7(9)3-4-8/h7-9H,1,3-5H2,2H3
InChI Key:
ZFVPVIRQHVOQRB-UHFFFAOYSA-N
SMILES:
OCCC(CC(=C)C)O

Properties

Complexity:
88.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.099g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
130.187g/mol
Monoisotopic Mass:
130.099g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

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