4-(Methoxycarbonyl)-2-methylbenzoic acid - CAS 1245919-29-2

Catalog:	BB059354
Product Name:	4-(Methoxycarbonyl)-2-methylbenzoic acid
CAS:	1245919-29-2
Synonyms:	4-(METHOXYCARBONYL)-2-METHYLBENZOIC ACID; 4-methoxycarbonyl-2-methylbenzoic acid

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Computed Properties

IUPAC Name:	4-methoxycarbonyl-2-methylbenzoic acid
Description:	4-(Methoxycarbonyl)-2-methylbenzoic acid
Molecular Weight:	194.18
Molecular Formula:	C10H10O4
Canonical SMILES:	CC1=C(C=CC(=C1)C(=O)OC)C(=O)O
InChI:	InChI=1S/C10H10O4/c1-6-5-7(10(13)14-2)3-4-8(6)9(11)12/h3-5H,1-2H3,(H,11,12)
InChI Key:	ZQKSVHOYMATPAD-UHFFFAOYSA-N

Publication Number	Title	Priority Date
CN-113621175-A	Efficient isotactic polypropylene beta-crystal form nucleating agent and preparation method and application thereof	20210813
WO-2021126999-A1	Use of biomarkers in identifying patients that will be responsive to treatment with a prmt5 inhibitor	20191217
WO-2020156241-A1	Aromatic ring or heteroaromatic ring compounds, preparation method therefor and medical use thereof	20190131
AU-2020214889-A1	Aromatic ring or heteroaromatic ring compounds, preparation method therefor and medical use thereof	20190131
CA-3128416-A1	Aromatic ring or heteroaromatic ring compounds, preparation method therefor and medical use thereof	20190131
CN-112955448-A	Aromatic ring or aromatic heterocyclic compound and preparation method and medical application thereof	20190131
TW-202115052-A	Aromatic ring or aromatic heterocyclic compounds, preparation method and medical use thereof	20190131
EP-3919489-A1	Aromatic ring or heteroaromatic ring compounds, preparation method therefor and medical use thereof	20190131
JP-2022518603-A	Aromatic ring or aromatic heterocyclic compound, its production method and pharmaceutical use	20190131
KR-20210123337-A	Aromatic ring or heteroaromatic ring compound, preparation method thereof and medical use thereof	20190131

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	236
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.0579088
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	194.0579088
Rotatable Bond Count:	3
Topological Polar Surface Area:	63.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7