AG00IT7Y

Name: 2-[(4-isopropylphenoxy)methyl]benzenecarboxylic acid
Brand: Angene Chemical
SKU: AG00IT7Y

77389-64-1 | 2-[(4-isopropylphenoxy)methyl]benzenecarboxylic acid

AG00IT7Y

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CAS Number	77389-64-1
Catalog Number	AG00IT7Y(AGN-PC-0L02I7)
Chemical Name	2-[(4-isopropylphenoxy)methyl]benzenecarboxylic acid
IUPAC Name	2-[(4-propan-2-ylphenoxy)methyl]benzoic acid
InChI	InChI=1S/C17H18O3/c1-12(2)13-7-9-15(10-8-13)20-11-14-5-3-4-6-16(14)17(18)19/h3-10,12H,11H2,1-2H3,(H,18,19)
InChI Key	QMDJDDHVKNXLJV-UHFFFAOYSA-N
MDL Number	MFCD05669843
Molecular Formula	C17H18O3
Molecular Weight	270.323
SMILES	O=C(O)C1(=C(C=CC=C1)COC2(=CC=C(C(C)C)C=C2))
Synonyms	77389-64-1, 2-{[4-(propan-2-yl)phenoxy]methyl}benzoic acid, 2-[(4-isopropylphenoxy)methyl]benzenecarboxylic acid, AC1MXB8S, 2-[(4-propan-2-ylphenoxy)methyl]benzoic Acid, ZINC4107696, AKOS005107921, MCULE-3772048088, MS-2239, KS-0000283E, CID3787681,

Complexity	305
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	1
Isotope Atom Count	0
Molecular Weight	270.328g/mol
Monoisotopic Mass	270.126g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

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