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113641-67-1 | 3-Butynoic acid, 2-oxopropyl ester
CAS No: 113641-67-1 Catalog No: AG00097H MDL No:
Product Description
Catalog Number:
AG00097H
Chemical Name:
3-Butynoic acid, 2-oxopropyl ester
CAS Number:
113641-67-1
Molecular Formula:
C7H8O3
Molecular Weight:
140.1366
IUPAC Name:
2-oxopropyl but-3-ynoate
InChI:
InChI=1S/C7H8O3/c1-3-4-7(9)10-5-6(2)8/h1H,4-5H2,2H3
InChI Key:
WXBMNKJYZQKIBG-UHFFFAOYSA-N
SMILES:
C#CCC(=O)OCC(=O)C
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.047g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.138g/mol
Monoisotopic Mass:
140.047g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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