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1185-02-0 | 3,4-Hexanediol, 3,4-dimethyl-
CAS No: 1185-02-0 Catalog No: AG000IXZ MDL No:MFCD00029999
Product Description
Catalog Number:
AG000IXZ
Chemical Name:
3,4-Hexanediol, 3,4-dimethyl-
CAS Number:
1185-02-0
Molecular Formula:
C8H18O2
Molecular Weight:
146.2273
MDL Number:
MFCD00029999
IUPAC Name:
3,4-dimethylhexane-3,4-diol
InChI:
InChI=1S/C8H18O2/c1-5-7(3,9)8(4,10)6-2/h9-10H,5-6H2,1-4H3
InChI Key:
RJOVKNVJGPMWDT-UHFFFAOYSA-N
SMILES:
CCC(C(CC)(O)C)(O)C
NSC Number:
10993
Properties
Complexity:
99.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.131g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
146.23g/mol
Monoisotopic Mass:
146.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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