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74877-21-7 | 2-Cyclopentene-1-acetic acid, 4-oxo-
CAS No: 74877-21-7 Catalog No: AG005GMO MDL No:
Product Description
Catalog Number:
AG005GMO
Chemical Name:
2-Cyclopentene-1-acetic acid, 4-oxo-
CAS Number:
74877-21-7
Molecular Formula:
C7H8O3
Molecular Weight:
140.1366
IUPAC Name:
2-(4-oxocyclopent-2-en-1-yl)acetic acid
InChI:
InChI=1S/C7H8O3/c8-6-2-1-5(3-6)4-7(9)10/h1-2,5H,3-4H2,(H,9,10)
InChI Key:
JTGPESOKUAWYRM-UHFFFAOYSA-N
SMILES:
OC(=O)CC1C=CC(=O)C1
Properties
Complexity:
193
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:
1
Isotope Atom Count:
0
Molecular Weight:
140.138g/mol
Monoisotopic Mass:
140.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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