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116484-93-6 | 4-Hexynoic acid, 2-methyl-, ethyl ester
CAS No: 116484-93-6 Catalog No: AG000CM8 MDL No:
Product Description
Catalog Number:
AG000CM8
Chemical Name:
4-Hexynoic acid, 2-methyl-, ethyl ester
CAS Number:
116484-93-6
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
IUPAC Name:
ethyl 2-methylhex-4-ynoate
InChI:
InChI=1S/C9H14O2/c1-4-6-7-8(3)9(10)11-5-2/h8H,5,7H2,1-3H3
InChI Key:
MLWGWKDHIMOXOI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(CC#CC)C
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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