AG00CLSI

Name: 4-Hydroxyisophthalic acid 3-methyl ester
Brand: Angene Chemical
SKU: AG00CLSI

41684-11-1 | 4-Hydroxyisophthalic acid 3-methyl ester

AG00CLSI

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CAS Number	41684-11-1
Catalog Number	AG00CLSI(AGN-PC-0OACHK)
Chemical Name	4-Hydroxyisophthalic acid 3-methyl ester
IUPAC Name	4-hydroxy-3-methoxycarbonylbenzoic acid
InChI	InChI=1S/C9H8O5/c1-14-9(13)6-4-5(8(11)12)2-3-7(6)10/h2-4,10H,1H3,(H,11,12)
InChI Key	JDUYMWSYTIJMJO-UHFFFAOYSA-N
MDL Number	MFCD11869747
Molecular Formula	C9H8O5
Molecular Weight	196.1568
SMILES	COC(C1=C(O)C=CC(C(O)=O)=C1)=O
Synonyms	4-Hydroxy-3-(methoxycarbonyl)benzoic acid, 41684-11-1, 4-Hydroxyisophthalic acid 3-methyl ester, 1,3-Benzenedicarboxylicacid,4-hydroxy-,3-methylester, SCHEMBL1647438, CTK6I9245, JDUYMWSYTIJMJO-UHFFFAOYSA-N, KS-00002AV9, ZX-AT004233, MFCD11869747, ZINC14443336, AKOS022505775, FCH1123048, OR40106, PS-8271, ACM41684111, 4-hydroxy-isophthalic acid 3-methyl ester, 4-Hydroxy-3-[(methyloxy)carbonyl]benzoic acid,

Complexity	237
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.037g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	196.158g/mol
Monoisotopic Mass	196.037g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	83.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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