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2088-02-0 | 3-Buten-1-ol, 2-methoxy-2-methyl-
CAS No: 2088-02-0 Catalog No: AG002JWX MDL No:
Product Description
Catalog Number:
AG002JWX
Chemical Name:
3-Buten-1-ol, 2-methoxy-2-methyl-
CAS Number:
2088-02-0
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
IUPAC Name:
2-methoxy-2-methylbut-3-en-1-ol
InChI:
InChI=1S/C6H12O2/c1-4-6(2,5-7)8-3/h4,7H,1,5H2,2-3H3
InChI Key:
MPRGYBHBLONXQT-UHFFFAOYSA-N
SMILES:
CC(C=C)(OC)CO
Properties
Complexity:
80.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
116.16g/mol
Monoisotopic Mass:
116.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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