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823792-29-6 | 1,3-Cyclopentanediol, 4-(hydroxymethyl)-, (1S,3S,4R)-
CAS No: 823792-29-6 Catalog No: AG0053EW MDL No:
Product Description
Catalog Number:
AG0053EW
Chemical Name:
1,3-Cyclopentanediol, 4-(hydroxymethyl)-, (1S,3S,4R)-
CAS Number:
823792-29-6
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
IUPAC Name:
(1S,3S,4R)-4-(hydroxymethyl)cyclopentane-1,3-diol
InChI:
InChI=1S/C6H12O3/c7-3-4-1-5(8)2-6(4)9/h4-9H,1-3H2/t4-,5+,6+/m1/s1
InChI Key:
HXUPUZHHZBLALZ-SRQIZXRXSA-N
SMILES:
OC[C@H]1C[C@@H](C[C@@H]1O)O
Properties
Complexity:
94.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
132.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
132.159g/mol
Monoisotopic Mass:
132.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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