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87013-37-4 | 1-Butanone, 2-methyl-1-(tetrahydro-2-methyl-2-furanyl)-
CAS No: 87013-37-4 Catalog No: AG004GQW MDL No:
Product Description
Catalog Number:
AG004GQW
Chemical Name:
1-Butanone, 2-methyl-1-(tetrahydro-2-methyl-2-furanyl)-
CAS Number:
87013-37-4
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
IUPAC Name:
2-methyl-1-(2-methyloxolan-2-yl)butan-1-one
InChI:
InChI=1S/C10H18O2/c1-4-8(2)9(11)10(3)6-5-7-12-10/h8H,4-7H2,1-3H3
InChI Key:
VYCAPBDTJWZRSL-UHFFFAOYSA-N
SMILES:
CCC(C(=O)C1(C)CCCO1)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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