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124345-17-1 | Heptane, 4-(diethoxymethyl)-
CAS No: 124345-17-1 Catalog No: AG000LWP MDL No:
Product Description
Catalog Number:
AG000LWP
Chemical Name:
Heptane, 4-(diethoxymethyl)-
CAS Number:
124345-17-1
Molecular Formula:
C12H26O2
Molecular Weight:
202.3336
IUPAC Name:
4-(diethoxymethyl)heptane
InChI:
InChI=1S/C12H26O2/c1-5-9-11(10-6-2)12(13-7-3)14-8-4/h11-12H,5-10H2,1-4H3
InChI Key:
TWXSZPRZLKECAG-UHFFFAOYSA-N
SMILES:
CCCC(C(OCC)OCC)CCC
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.193g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.338g/mol
Monoisotopic Mass:
202.193g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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