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138804-37-2 | 2-Heptanol, 6-methoxy-2-methyl-
CAS No: 138804-37-2 Catalog No: AG0019LR MDL No:
Product Description
Catalog Number:
AG0019LR
Chemical Name:
2-Heptanol, 6-methoxy-2-methyl-
CAS Number:
138804-37-2
Molecular Formula:
C9H20O2
Molecular Weight:
160.2539
IUPAC Name:
6-methoxy-2-methylheptan-2-ol
InChI:
InChI=1S/C9H20O2/c1-8(11-4)6-5-7-9(2,3)10/h8,10H,5-7H2,1-4H3
InChI Key:
AALZDNXDXNMTCO-UHFFFAOYSA-N
SMILES:
COC(CCCC(O)(C)C)C
Properties
Complexity:
99.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.146g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.257g/mol
Monoisotopic Mass:
160.146g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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