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20006-86-4 | 3-Cyclopentene-1-acetic acid, methyl ester
CAS No: 20006-86-4 Catalog No: AG002CIT MDL No:
Product Description
Catalog Number:
AG002CIT
Chemical Name:
3-Cyclopentene-1-acetic acid, methyl ester
CAS Number:
20006-86-4
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
methyl 2-cyclopent-3-en-1-ylacetate
InChI:
InChI=1S/C8H12O2/c1-10-8(9)6-7-4-2-3-5-7/h2-3,7H,4-6H2,1H3
InChI Key:
OABHOOWBQOXBAW-UHFFFAOYSA-N
SMILES:
COC(=O)CC1CC=CC1
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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