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13002-16-9 | Butane, 1,1-bis(2-methylpropoxy)-
CAS No: 13002-16-9 Catalog No: AG000TXC MDL No:
Product Description
Catalog Number:
AG000TXC
Chemical Name:
Butane, 1,1-bis(2-methylpropoxy)-
CAS Number:
13002-16-9
Molecular Formula:
C12H26O2
Molecular Weight:
202.3336
IUPAC Name:
1,1-bis(2-methylpropoxy)butane
InChI:
InChI=1S/C12H26O2/c1-6-7-12(13-8-10(2)3)14-9-11(4)5/h10-12H,6-9H2,1-5H3
InChI Key:
UAPNJCMKUJQPBK-UHFFFAOYSA-N
SMILES:
CCCC(OCC(C)C)OCC(C)C
Properties
Complexity:
110
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:
8
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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