AG0032BN

110567-21-0 | (1S,2R)-2-[(Benzyloxy)methyl]cyclopent-3-en-1-ol

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CAS Number	110567-21-0
Catalog Number	AG0032BN(AGN-PC-0NXERF)
Chemical Name	(1S,2R)-2-[(Benzyloxy)methyl]cyclopent-3-en-1-ol
IUPAC Name	(1S,2R)-2-(phenylmethoxymethyl)cyclopent-3-en-1-ol
InChI	InChI=1S/C13H16O2/c14-13-8-4-7-12(13)10-15-9-11-5-2-1-3-6-11/h1-7,12-14H,8-10H2/t12-,13+/m1/s1
InChI Key	WACMQXMZXZTKIV-OLZOCXBDSA-N
MDL Number	MFCD09263486
Molecular Formula	C13H16O2
Molecular Weight	204.2649
SMILES	O[C@H]1CC=C[C@@H]1COCc1ccccc1
Synonyms	110567-21-0, (1S,2R)-2-(BENZYLOXYMETHYL)-1-HYDROXY-3-CYCLOPENTENE, (1S,2R)-2-[(benzyloxy)methyl]cyclopent-3-en-1-ol, (1S, 2R)-2-(BENZYLOXYMETHYL)-1-HYDROXY-3-CYCLOPENTENE, (1S,2R)-2-((benzyloxy)methyl)cyclopent-3-en-1-ol, 3-Cyclopenten-1-ol, 2-[(phenylmethoxy)methyl]-, (1S,2R)-, (1s-trans)-2-[(phenylmethoxy)methyl]-3-cyclopenten-1-ol, Entecavir inter-7, AK-41218, 3-Cyclopenten-1-ol,2-[(phenylmethoxy)methyl]-, (1S,2R)-, SCHEMBL2512920, CTK4A6937, DTXSID70450876, WACMQXMZXZTKIV-OLZOCXBDSA-N, ANW-49592, MFCD09263486, QC-593, RW2433, ZINC34206535, AKOS015917784, ACN-036339, CS-W005682, FCH3984089, GS-4072, RP26092, AJ-87442, AN-33596, BC658087, BR-41218, CJ-18238, AB0034749, AX8173567, TC-138337, R3-01, ST24026086, X8950, (1S,2R)-2-(benzyloxymethyl)cyclopent-3-enol, S-5917, (1S,2R)-2-(benzyloxymethyl)cyclopent-3-en-1-ol, 399B486, I14-8978, J-500407, (1S,2R)-2-[(Benzyloxy)methyl]-3-cyclopenten-1-ol, (1S)-2beta-(Benzyloxymethyl)-3-cyclopentene-1alpha-ol, C13H16O2, CID10987367, (1S,2S)-2-(phenylmethoxymethyl)cyclopent-3-en-1-ol, (1R,2S)-2-[(Phenylmethoxy)methyl]-3-cyclopenten-1-ol, 188399-48-6,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	204.115g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	204.269g/mol
Monoisotopic Mass	204.115g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number