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1002-36-4 | Hept-2-yn-1-ol
CAS No: 1002-36-4 Catalog No: AG00018I MDL No:MFCD00039541
Product Description
Catalog Number:
AG00018I
Chemical Name:
Hept-2-yn-1-ol
CAS Number:
1002-36-4
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
MDL Number:
MFCD00039541
IUPAC Name:
hept-2-yn-1-ol
InChI:
InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h8H,2-4,7H2,1H3
InChI Key:
OGDYROFIIXDTQK-UHFFFAOYSA-N
SMILES:
CCCCC#CCO
EC Number:
600-040-4
Properties
Complexity:
93.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.089g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
112.172g/mol
Monoisotopic Mass:
112.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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