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1483-67-6 | 2-HEPTYNOIC ACID
CAS No: 1483-67-6 Catalog No: AG001FLS MDL No:MFCD00014372
Product Description
Catalog Number:
AG001FLS
Chemical Name:
2-HEPTYNOIC ACID
CAS Number:
1483-67-6
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
MDL Number:
MFCD00014372
IUPAC Name:
hept-2-ynoic acid
InChI:
InChI=1S/C7H10O2/c1-2-3-4-5-6-7(8)9/h2-4H2,1H3,(H,8,9)
InChI Key:
UEERQXQKEJPYBR-UHFFFAOYSA-N
SMILES:
CCCCC#CC(=O)O
EC Number:
216-048-2
NSC Number:
289571
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Derivatization of thiols under flow conditions using two commercially available propiolate esters. | Journal of pharmaceutical and biomedical analysis 20101102 |
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