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118013-56-2 | 1,2,3-Cyclopentanetriol, 4-(hydroxymethyl)-, (1R,2S,3RSTART_RECORD
CAS No: 118013-56-2 Catalog No: AG000IBI MDL No:
Product Description
Catalog Number:
AG000IBI
Chemical Name:
1,2,3-Cyclopentanetriol, 4-(hydroxymethyl)-, (1R,2S,3RSTART_RECORD
CAS Number:
118013-56-2
Molecular Formula:
C16H18ClNO4
Molecular Weight:
323.7714
IUPAC Name:
4-(hydroxymethyl)cyclopentane-1,2,3-triol
InChI:
InChI=1S/C6H12O4/c7-2-3-1-4(8)6(10)5(3)9/h3-10H,1-2H2
InChI Key:
PHKHGSSZAJVEQK-UHFFFAOYSA-N
SMILES:
CC(C[C@H](N1CC(=CC1=O)Oc1ccccc1Cl)C(=O)O)C
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.074g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
148.158g/mol
Monoisotopic Mass:
148.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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