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144938-82-9 | 2-Cyclopentene-1-methanol, 4-hydroxy-, (1R,4S)-
CAS No: 144938-82-9 Catalog No: AG001KD8 MDL No:
Product Description
Catalog Number:
AG001KD8
Chemical Name:
2-Cyclopentene-1-methanol, 4-hydroxy-, (1R,4S)-
CAS Number:
144938-82-9
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
IUPAC Name:
(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-ol
InChI:
InChI=1S/C6H10O2/c7-4-5-1-2-6(8)3-5/h1-2,5-8H,3-4H2/t5-,6+/m0/s1
InChI Key:
POCJXFOZRKCVMA-NTSWFWBYSA-N
SMILES:
OC[C@H]1C=C[C@H](C1)O
Properties
Complexity:
98.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
114.068g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
114.144g/mol
Monoisotopic Mass:
114.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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