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23433-04-7 | 1,3-Heptanediol
CAS No: 23433-04-7 Catalog No: AG002N7X MDL No:
Product Description
Catalog Number:
AG002N7X
Chemical Name:
1,3-Heptanediol
CAS Number:
23433-04-7
Molecular Formula:
C7H16O2
Molecular Weight:
132.2007
IUPAC Name:
heptane-1,3-diol
InChI:
InChI=1S/C7H16O2/c1-2-3-4-7(9)5-6-8/h7-9H,2-6H2,1H3
InChI Key:
HTXVEEVTGGCUNC-UHFFFAOYSA-N
SMILES:
CCCCC(CCO)O
Properties
Complexity:
54.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.115g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
132.203g/mol
Monoisotopic Mass:
132.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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