AG00D967

50649-61-1 | 4-Methoxyphenyl 4-propylbenzoate

AG00D967

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CAS Number	50649-61-1
Catalog Number	AG00D967(AGN-PC-023KEJ)
Chemical Name	4-Methoxyphenyl 4-propylbenzoate
IUPAC Name	(4-methoxyphenyl) 4-propylbenzoate
InChI	InChI=1S/C17H18O3/c1-3-4-13-5-7-14(8-6-13)17(18)20-16-11-9-15(19-2)10-12-16/h5-12H,3-4H2,1-2H3
InChI Key	BXCOVVDVVWZRDC-UHFFFAOYSA-N
MDL Number	MFCD11053430
Molecular Formula	C17H18O3
Molecular Weight	270.3230
SMILES	O=C(OC1=CC=C(OC)C=C1)C2=CC=C(CCC)C=C2
Synonyms	4-Methoxyphenyl 4-propylbenzoate, 50649-61-1, 4-Propylbenzoic acid 4-methoxyphenyl ester, 4-PROPYL-BENZOIC ACID 4-METHOXY-PHENYL ESTER, DTXSID80597948, (4-methoxyphenyl) 4-propylbenzoate, MFCD11053430, ZINC44137101, AKOS025402458, AC-9305, AN-7119, AK394196, DS-13322, FT-0749362, 4-METHOXYPHENYL4-PROPYLBENZOATE,

Complexity	287
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	270.126g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	270.328g/mol
Monoisotopic Mass	270.126g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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