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13994-57-5 | 1-Butyne, 3-methoxy-3-methyl-
CAS No: 13994-57-5 Catalog No: AG001BUD MDL No:MFCD06654873
Product Description
Catalog Number:
AG001BUD
Chemical Name:
1-Butyne, 3-methoxy-3-methyl-
CAS Number:
13994-57-5
Molecular Formula:
C6H10O
Molecular Weight:
98.1430
MDL Number:
MFCD06654873
IUPAC Name:
3-methoxy-3-methylbut-1-yne
InChI:
InChI=1S/C6H10O/c1-5-6(2,3)7-4/h1H,2-4H3
InChI Key:
ZYDXBIXQPLRRIK-UHFFFAOYSA-N
SMILES:
COC(C#C)(C)C
Properties
Complexity:
94
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.073g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
98.145g/mol
Monoisotopic Mass:
98.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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