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88147-23-3 | 3-Cyclopentene-1-acetic acid, 2-hydroxy-5-oxo-, methyl ester, trans-
CAS No: 88147-23-3 Catalog No: AG004D80 MDL No:
Product Description
Catalog Number:
AG004D80
Chemical Name:
3-Cyclopentene-1-acetic acid, 2-hydroxy-5-oxo-, methyl ester, trans-
CAS Number:
88147-23-3
Molecular Formula:
C8H10O4
Molecular Weight:
170.1626
IUPAC Name:
methyl 2-[(1S,2R)-2-hydroxy-5-oxocyclopent-3-en-1-yl]acetate
InChI:
InChI=1S/C8H10O4/c1-12-8(11)4-5-6(9)2-3-7(5)10/h2-3,5-6,9H,4H2,1H3/t5-,6+/m0/s1
InChI Key:
MIVQZQMAIWWHME-NTSWFWBYSA-N
SMILES:
COC(=O)C[C@H]1[C@H](O)C=CC1=O
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
1
Isotope Atom Count:
0
Molecular Weight:
170.164g/mol
Monoisotopic Mass:
170.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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