AG003P9H

69679-30-7 | Benzoic acid, 4-​hydroxy-​, decyl ester

AG003P9H

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CAS Number	69679-30-7
Catalog Number	AG003P9H(AGN-PC-0JKXSR)
Chemical Name	Benzoic acid, 4-​hydroxy-​, decyl ester
IUPAC Name	decyl 4-hydroxybenzoate
InChI	InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-14-20-17(19)15-10-12-16(18)13-11-15/h10-13,18H,2-9,14H2,1H3
InChI Key	GMMXJVUYXPXLPY-UHFFFAOYSA-N
MDL Number	MFCD01661520
Molecular Formula	C17H26O3
Molecular Weight	278.3865
NSC Number	309819
SMILES	C(=O)(OCCCCCCCCCC)c1ccc(cc1)O
Synonyms	decyl 4-hydroxybenzoate, 69679-30-7, p-Hydroxybenzoic acid decyl ester, decylparaben(decyl4-hydroxybenzoate), BENZOIC ACID, p-HYDROXY-, DECYL ESTER, p-Oxybenzoesauredecyl ester [German], BRN 4748062, Benzoic acid, 4-hydroxy-, decyl ester, AK160917, p-Oxybenzoesauredecyl ester, AC1L19FE, SCHEMBL1263063, DTXSID80219971, 4-Hydroxybenzoic acid decyl ester, GMMXJVUYXPXLPY-UHFFFAOYSA-N, KS-00000SK0, ZINC1568933, MFCD01661520, NSC309819, AKOS024462404, DS-9806, NSC-309819, TRA0026579, Decylparaben (= decyl 4-hydroxybenzoate), LS-37553, AX8293944, Y1196, C17H26O3, CID50609, C17-H26-O3,

Complexity	245
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	278.188g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	278.392g/mol
Monoisotopic Mass	278.188g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.5

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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