AG00DEWX

Name: OCTYL HYDROGEN PHTHALATE
Brand: Angene Chemical
SKU: AG00DEWX

5393-19-1 | OCTYL HYDROGEN PHTHALATE

AG00DEWX

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CAS Number	5393-19-1
Catalog Number	AG00DEWX(AGN-PC-03GUJ7)
Chemical Name	OCTYL HYDROGEN PHTHALATE
EC Number	226-398-8
IUPAC Name	2-octoxycarbonylbenzoic acid
InChI	InChI=1S/C16H22O4/c1-2-3-4-5-6-9-12-20-16(19)14-11-8-7-10-13(14)15(17)18/h7-8,10-11H,2-6,9,12H2,1H3,(H,17,18)
InChI Key	PKIYFBICNICNGJ-UHFFFAOYSA-N
MDL Number	MFCD00517704
Molecular Formula	C16H22O4
Molecular Weight	278.3435
NSC Number	4639
SMILES	CCCCCCCCOC(=O)c1ccccc1C(=O)O
UNII	9KSH93UAM4
Synonyms	MNOP, mono-n-octyl phthalate, Monooctyl phthalate, Octyl hydrogen phthalate, Mono-n-octyl phthalate, Hydrogen octyl phthalate, Phthalic acid, monooctyl ester, Phthalic acid, octyl ester, 5393-19-1, NSC 4639, 1,2-Benzenedicarboxylic acid, monooctyl ester, EINECS 226-398-8, UNII-9KSH93UAM4, BRN 2280185, 9KSH93UAM4, AI3-06031, 2-(Octyloxycarbonyl)benzoic acid, PKIYFBICNICNGJ-UHFFFAOYSA-N, 1-Octyl phthalate, 1, monooctyl ester, 2-octoxycarbonylbenzoic acid, AC1L2X8A, 3-09-00-04112 (Beilstein Handbook Reference), SCHEMBL149076, AC1Q677L, DTXSID4052714, NSC4639, CHEBI:132583, NSC-4639, ZINC1680016, LS-29783, 1,2-Benzenedicarboxylic Acid 1-Octyl Ester, FT-0672490, MNOP, MnOP (Mono-n-octyl phthalate), CID79362, PHTHALIC ACID MONOOCTYL ESTER, AR-1J6852, C16-H22-O4, C041260, MOP, 55090-42-1,

Complexity	301
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	278.152g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	278.348g/mol
Monoisotopic Mass	278.152g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.3

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited