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85612-95-9 | 3-Nonyne, 1-iodo-
CAS No: 85612-95-9 Catalog No: AG00513J MDL No:
Product Description
Catalog Number:
AG00513J
Chemical Name:
3-Nonyne, 1-iodo-
CAS Number:
85612-95-9
Molecular Formula:
C9H15I
Molecular Weight:
250.1199
IUPAC Name:
1-iodonon-3-yne
InChI:
InChI=1S/C9H15I/c1-2-3-4-5-6-7-8-9-10/h2-5,8-9H2,1H3
InChI Key:
SSMHRWBEGJTRIC-UHFFFAOYSA-N
SMILES:
CCCCCC#CCCI
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.022g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.123g/mol
Monoisotopic Mass:
250.022g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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