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89216-44-4 | 3-Heptynoic acid, ethyl ester
CAS No: 89216-44-4 Catalog No: AG00460M MDL No:
Product Description
Catalog Number:
AG00460M
Chemical Name:
3-Heptynoic acid, ethyl ester
CAS Number:
89216-44-4
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
IUPAC Name:
ethyl hept-3-ynoate
InChI:
InChI=1S/C9H14O2/c1-3-5-6-7-8-9(10)11-4-2/h3-5,8H2,1-2H3
InChI Key:
KLVNJGJGSNLJTH-UHFFFAOYSA-N
SMILES:
CCCC#CCC(=O)OCC
Properties
Complexity:
171
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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