CAS 59719-74-3 | 1,3-CYCLOPENTANEDIOL | CAS Number 59719-74-3

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59719-74-3 | 1,3-CYCLOPENTANEDIOL

CAS No: 59719-74-3 Catalog No: AG003DIG MDL No:MFCD00001367

Product Description

Catalog Number:

AG003DIG

Chemical Name:

1,3-CYCLOPENTANEDIOL

CAS Number:

59719-74-3

Molecular Formula:

C5H10O2

Molecular Weight:

102.1317

MDL Number:

MFCD00001367

IUPAC Name:

cyclopentane-1,3-diol

InChI:

InChI=1S/C5H10O2/c6-4-1-2-5(7)3-4/h4-7H,1-3H2

InChI Key:

NUUPJBRGQCEZSI-UHFFFAOYSA-N

SMILES:

OC1CCC(C1)O

EC Number:

261-880-1

NSC Number:

351119

Properties

Complexity:

55.1

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

102.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

102.133g/mol

Monoisotopic Mass:

102.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.2

Literature

Title	Journal
Diastereoselective synthesis of five- and seven-membered rings by [2+2+1], [3+2], [3+2+2], and [4+3] carbocyclization reactions of beta-substituted (alkenyl)(methoxy)carbene complexes with methyl ketone lithium enolates.	Chemistry (Weinheim an der Bergstrasse, Germany) 20050819