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797750-52-8 | 1,3-Benzenediol, 4-cyclopentyl-, monohydrate
CAS No: 797750-52-8 Catalog No: AG0056A8 MDL No:
Product Description
Catalog Number:
AG0056A8
Chemical Name:
1,3-Benzenediol, 4-cyclopentyl-, monohydrate
CAS Number:
797750-52-8
Molecular Formula:
C11H16O3
Molecular Weight:
196.2429
IUPAC Name:
4-cyclopentylbenzene-1,3-diol;hydrate
InChI:
InChI=1S/C11H14O2.H2O/c12-9-5-6-10(11(13)7-9)8-3-1-2-4-8;/h5-8,12-13H,1-4H2;1H2
InChI Key:
WLWRASODMDBNFC-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)O)C1CCCC1.O
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
196.246g/mol
Monoisotopic Mass:
196.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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