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113611-45-3 | 1,4-Heptanediol, (R)- (9CI)
CAS No: 113611-45-3 Catalog No: AG00094T MDL No:
Product Description
Catalog Number:
AG00094T
Chemical Name:
1,4-Heptanediol, (R)- (9CI)
CAS Number:
113611-45-3
Molecular Formula:
C7H16O2
Molecular Weight:
132.2007
IUPAC Name:
heptane-1,4-diol
InChI:
InChI=1S/C7H16O2/c1-2-4-7(9)5-3-6-8/h7-9H,2-6H2,1H3
InChI Key:
OGRCRHSHBFQRKO-UHFFFAOYSA-N
SMILES:
CCC[C@H](CCCO)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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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