AG005658

7515-29-9 | 1-Cyclobutylethanol

AG005658

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CAS Number	7515-29-9
Catalog Number	AG005658(AGN-PC-0U6RCU)
Chemical Name	1-Cyclobutylethanol
IUPAC Name	1-cyclobutylethanol
InChI	InChI=1S/C6H12O/c1-5(7)6-3-2-4-6/h5-7H,2-4H2,1H3
InChI Key	PFGPCAYJUYSJJS-UHFFFAOYSA-N
MDL Number	MFCD00061039
Molecular Formula	C6H12O
Molecular Weight	100.1589
SMILES	C1(CCC1)C(C)O
Synonyms	1-Cyclobutylethanol, 7515-29-9, 1-CYCLOBUTYLETHAN-1-OL, (1S)-1-cyclobutylethanol, PFGPCAYJUYSJJS-UHFFFAOYSA-N, (1R)-1-cyclobutylethan-1-ol, 1563594-44-4, 1-cyclobutyl-ethanol, 1-Cyclobutylethanol #, PubChem16458, AC1L3KR5, SCHEMBL126872, CTK2H5513, 1257214-06-4, ALPHA-METHYLCYCLOBUTANEMETHANOL, ANW-52146, Cyclobutanemethanol, .alpha.-methyl-, MFCD00061039, AKOS006273266, CS-W006217, MCULE-7846963519, RP18710, RTC-064342, KS-00000M82, AK-39885, AS-30691, BR-39885, SC-22088, AB0026568, DB-074947, ST2415316, TC-064342, 4CH-014516, A9589, BB 0260886, FT-0650248, W8263, S-5565, J-504545, I14-17029, Z1324054930, C6H12O, CID142262, CB10183, 38401-41-1,

Complexity	57.2
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	100.089g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	100.161g/mol
Monoisotopic Mass	100.089g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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