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10031-92-2 | 2-Nonynoic acid, ethyl ester
CAS No: 10031-92-2 Catalog No: AG0001KV MDL No:MFCD00036553
Product Description
Catalog Number:
AG0001KV
Chemical Name:
2-Nonynoic acid, ethyl ester
CAS Number:
10031-92-2
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
MDL Number:
MFCD00036553
IUPAC Name:
ethyl non-2-ynoate
InChI:
InChI=1S/C11H18O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-8H2,1-2H3
InChI Key:
BFZNMUGAZYAMTG-UHFFFAOYSA-N
SMILES:
CCCCCCC#CC(=O)OCC
EC Number:
233-098-0
UNII:
853DED009T
NSC Number:
190985
FEMA Number:
2448
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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