AG00EIFG

6500-64-7 | 5-(m-Methoxyphenyl)valeric acid

AG00EIFG

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CAS Number	6500-64-7
Catalog Number	AG00EIFG(AGN-PC-0N7120)
Chemical Name	5-(m-Methoxyphenyl)valeric acid
IUPAC Name	5-(3-methoxyphenyl)pentanoic acid
InChI	InChI=1S/C12H16O3/c1-15-11-7-4-6-10(9-11)5-2-3-8-12(13)14/h4,6-7,9H,2-3,5,8H2,1H3,(H,13,14)
InChI Key	VGEQZPKAGFDVHW-UHFFFAOYSA-N
MDL Number	MFCD18072925
Molecular Formula	C12H16O3
Molecular Weight	208.2536
SMILES	COC1=CC=CC(CCCCC(O)=O)=C1
Synonyms	5-(3-methoxyphenyl)pentanoic Acid, 6500-64-7, SCHEMBL1206248, 5-(m-Methoxyphenyl)valeric acid, CTK8C2374, 5-(3-Methoxyphenyl)valeric acid, DTXSID20442084, VGEQZPKAGFDVHW-UHFFFAOYSA-N, Benzenepentanoic acid, 3-methoxy-, 9950AB, ANW-68299, MFCD18072925, ZINC14504291, AKOS016007285, 5-(3'-Methoxyphenyl)pentan-1-oic acid, AJ-64918, AK-79891, AS-43003, AX8237451, TC-157044, ST24044182, 5-(3-Methoxyphenyl)pentanoicacid, C12H16O3, CID10584485,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.11g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	208.257g/mol
Monoisotopic Mass	208.11g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number