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141693-19-8 | 3-Cyclopentene-1-carboxylic acid, 4-methoxy-2-oxo-, methyl ester
CAS No: 141693-19-8 Catalog No: AG001GWO MDL No:MFCD00171587
Product Description
Catalog Number:
AG001GWO
Chemical Name:
3-Cyclopentene-1-carboxylic acid, 4-methoxy-2-oxo-, methyl ester
CAS Number:
141693-19-8
Molecular Formula:
C8H10O4
Molecular Weight:
170.1626
MDL Number:
MFCD00171587
IUPAC Name:
methyl 4-methoxy-2-oxocyclopent-3-ene-1-carboxylate
InChI:
InChI=1S/C8H10O4/c1-11-5-3-6(7(9)4-5)8(10)12-2/h4,6H,3H2,1-2H3
InChI Key:
HWRHBSUZMNXAQK-UHFFFAOYSA-N
SMILES:
COC1=CC(=O)C(C1)C(=O)OC
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.164g/mol
Monoisotopic Mass:
170.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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