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120052-54-2 | 2-Cyclopentene-1-acetic acid, 4-hydroxy-, methyl ester, (1S,4S)-
CAS No: 120052-54-2 Catalog No: AG000Q7D MDL No:MFCD09038000
Product Description
Catalog Number:
AG000Q7D
Chemical Name:
2-Cyclopentene-1-acetic acid, 4-hydroxy-, methyl ester, (1S,4S)-
CAS Number:
120052-54-2
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
MDL Number:
MFCD09038000
IUPAC Name:
methyl 2-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]acetate
InChI:
InChI=1S/C8H12O3/c1-11-8(10)5-6-2-3-7(9)4-6/h2-3,6-7,9H,4-5H2,1H3/t6-,7+/m0/s1
InChI Key:
SOVNDLFKPGLMEE-NKWVEPMBSA-N
SMILES:
COC(=O)C[C@@H]1C[C@@H](C=C1)O
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
156.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.181g/mol
Monoisotopic Mass:
156.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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