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132178-37-1 | 4-Pentynoic acid, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 132178-37-1 Catalog No: AG0010CH MDL No:MFCD22577791
Product Description
Catalog Number:
AG0010CH
Chemical Name:
4-Pentynoic acid, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
132178-37-1
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD22577791
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) pent-4-ynoate
InChI:
InChI=1S/C9H9NO4/c1-2-3-4-9(13)14-10-7(11)5-6-8(10)12/h1H,3-6H2
InChI Key:
VLQOCPXVAZTWQR-UHFFFAOYSA-N
SMILES:
C#CCCC(=O)ON1C(=O)CCC1=O
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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