AG003P6L

5422-88-8 | Cyclopentyl phenyl ketone

AG003P6L

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CAS Number	5422-88-8
Catalog Number	AG003P6L(AGN-PC-0JLS0X)
Chemical Name	Cyclopentyl phenyl ketone
EC Number	226-548-2
IUPAC Name	cyclopentyl(phenyl)methanone
InChI	InChI=1S/C12H14O/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2
InChI Key	VYDIMQRLNMMJBW-UHFFFAOYSA-N
MDL Number	MFCD00001378
Molecular Formula	C12H14O
Molecular Weight	174.2390
SMILES	O=C(C1CCCC1)C2=CC=CC=C2
UNII	9891K7W47P
Synonyms	Cyclopentyl phenyl ketone, 5422-88-8, Cyclopentyl(phenyl)methanone, Benzoylcyclopentane, Methanone, cyclopentylphenyl-, cyclopentylphenylmethanone, Ketone, cyclopentyl phenyl, cyclopentyl-phenyl-methanone, UNII-9891K7W47P, VYDIMQRLNMMJBW-UHFFFAOYSA-N, MFCD00001378, 9891K7W47P, CYCLOPENTYLPHENYLKETONE, EINECS 226-548-2, NSC 10749, NSC 401765, ACMC-209leg, phenyl cyclopentyl ketone, AC1Q5EPF, AC1Q5EPG, Cyclopentanylphenylmethanone, AC1L2XG4, KSC492O1L, SCHEMBL965420, Cyclopentyl(phenyl)methanone #, DTXSID0063864, CTK3J2715, VYDIMQRLNMMJBW-UHFFFAOYSA-, EBD39216, NSC10749, ZINC1712450, 7797AB, ANW-32006, NSC-10749, NSC401765, SBB007885, AKOS009158414, ZINC100042533, CS-W017495, FR-0520, MCULE-3860643399, NSC-401765, RTR-019176, TRA0020075, KS-00000C37, AJ-30787, AS-31077, CJ-06791, SC-49401, SY015104, TR-019176, AK00739429, FT-0622753, ST24046397, ST50407091, EN300-72848, MFCD00001378 (96%), K-9787, I14-20201, Z1250132481, Benzoylcyclopentane; cyclopentyl-phenyl-methanone; cyclopentyl(phenyl)methanone; methanone, cyclopentylphenyl-, InChI=1/C12H14O/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2, C12H14O, CID79464, c0882, C12-H14-O,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.104g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	174.243g/mol
Monoisotopic Mass	174.104g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	4
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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