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17920-23-9 | Propanedioic acid, 2-(2-propyn-1-yl)-, 1,3-diethyl ester
CAS No: 17920-23-9 Catalog No: AG0026V2 MDL No:MFCD00091967
Product Description
Catalog Number:
AG0026V2
Chemical Name:
Propanedioic acid, 2-(2-propyn-1-yl)-, 1,3-diethyl ester
CAS Number:
17920-23-9
Molecular Formula:
C10H14O4
Molecular Weight:
198.2158
MDL Number:
MFCD00091967
IUPAC Name:
diethyl 2-prop-2-ynylpropanedioate
InChI:
InChI=1S/C10H14O4/c1-4-7-8(9(11)13-5-2)10(12)14-6-3/h1,8H,5-7H2,2-3H3
InChI Key:
FKXOELIKVUIBLP-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)CC#C
EC Number:
605-851-7
NSC Number:
28575
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.089g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.218g/mol
Monoisotopic Mass:
198.089g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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