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Home > Other Building Blocks > 13700-19-1
13700-19-1 | 3-Hepten-5-yn-1-ol, 4-methyl-, (3E)-
CAS No: 13700-19-1 Catalog No: AG0012OX MDL No:
Product Description
Catalog Number:
AG0012OX
Chemical Name:
3-Hepten-5-yn-1-ol, 4-methyl-, (3E)-
CAS Number:
13700-19-1
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
4-methylhept-3-en-5-yn-1-ol
InChI:
InChI=1S/C8H12O/c1-3-5-8(2)6-4-7-9/h6,9H,4,7H2,1-2H3
InChI Key:
QLPWKFDWRWFFDJ-UHFFFAOYSA-N
SMILES:
C/C(=C\CCO)/C#CC
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.089g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
124.183g/mol
Monoisotopic Mass:
124.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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