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1606-79-7 | 2-Butyn-1-ol, 4-(2-hydroxypropoxy)-
CAS No: 1606-79-7 Catalog No: AG001S28 MDL No:MFCD09743551
Product Description
Catalog Number:
AG001S28
Chemical Name:
2-Butyn-1-ol, 4-(2-hydroxypropoxy)-
CAS Number:
1606-79-7
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
MDL Number:
MFCD09743551
IUPAC Name:
4-(2-hydroxypropoxy)but-2-yn-1-ol
InChI:
InChI=1S/C7H12O3/c1-7(9)6-10-5-3-2-4-8/h7-9H,4-6H2,1H3
InChI Key:
GFDLMAQAFYECMB-UHFFFAOYSA-N
SMILES:
OCC#CCOCC(O)C
EC Number:
216-522-9
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
144.17g/mol
Monoisotopic Mass:
144.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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