AG00EDUX

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COA

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CAS Number	5651-47-8
Catalog Number	AG00EDUX(AGN-PC-0JMQ72)
Chemical Name	NISTC5651478
IUPAC Name	3-propan-2-ylbenzoic acid
InChI	InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(6-8)10(11)12/h3-7H,1-2H3,(H,11,12)
InChI Key	DLYVSJDCQZVKMD-UHFFFAOYSA-N
MDL Number	MFCD09038906
Molecular Formula	C10H12O2
Molecular Weight	164.2011
NSC Number	59899
SMILES	CC(C)C1=CC=CC(=C1)C(O)=O
Synonyms	3-Isopropylbenzoic acid, 5651-47-8, Benzoic acid, 3-(1-methylethyl)-, 3-(propan-2-yl)benzoic acid, 3-propan-2-ylbenzoic acid, NISTC5651478, DLYVSJDCQZVKMD-UHFFFAOYSA-N, m-Cumic acid, m-isopropylbenzoic acid, 3-isopropyl-benzoic acid, 3-Isopropylbenzoic acid #, AC1L3D2A, 3-(methylethyl)benzoic acid, 3-propane-2-ylbenzoic acid, 1-Carboxy-3-isopropylbenzene, 3-(Prop-2-yl)benzoic acid, SCHEMBL105264, CTK1H1415, DTXSID60205054, NSC59899, ZINC1689869, 3-isopropylbenzoic acid, AldrichCPR, ANW-73924, MFCD09038906, NSC-59899, SBB087804, AKOS013153976, 3-(1-METHYLETHYL)BENZOIC ACID, PS-3682, KS-00002A07, AJ-30008, SC-25164, TC-162669, 4CH-007584, FT-0085031, FT-0650402, ST24028560, X3014, M-8360, I14-17254, Z1741968595, C10H12O2, CID138552, ACN-050282,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.084g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	164.204g/mol
Monoisotopic Mass	164.084g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Product Recommendations

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