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18720-62-2 | 2-Methylheptan-3-ol
CAS No: 18720-62-2 Catalog No: AG003HMH MDL No:
Product Description
Catalog Number:
AG003HMH
Chemical Name:
2-Methylheptan-3-ol
CAS Number:
18720-62-2
Molecular Formula:
C8H18O
Molecular Weight:
130.2279
IUPAC Name:
2-methylheptan-3-ol
InChI:
InChI=1S/C8H18O/c1-4-5-6-8(9)7(2)3/h7-9H,4-6H2,1-3H3
InChI Key:
QGVFLDUEHSIZIG-UHFFFAOYSA-N
SMILES:
CCCCC(C(C)C)O
EC Number:
242-530-7
NSC Number:
244886
Properties
Complexity:
59.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.136g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
130.231g/mol
Monoisotopic Mass:
130.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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