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831219-38-6 | 4-Pentynoic acid, 2-(hydroxymethylene)-3-oxo-, methyl ester
CAS No: 831219-38-6 Catalog No: AG004WB1 MDL No:
Product Description
Catalog Number:
AG004WB1
Chemical Name:
4-Pentynoic acid, 2-(hydroxymethylene)-3-oxo-, methyl ester
CAS Number:
831219-38-6
Molecular Formula:
C7H6O4
Molecular Weight:
154.1201
IUPAC Name:
methyl 2-(hydroxymethylidene)-3-oxopent-4-ynoate
InChI:
InChI=1S/C7H6O4/c1-3-6(9)5(4-8)7(10)11-2/h1,4,8H,2H3
InChI Key:
CFUSLMBVYZFPKK-UHFFFAOYSA-N
SMILES:
COC(=O)C(=CO)C(=O)C#C
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.121g/mol
Monoisotopic Mass:
154.027g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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