3,4-Dimethylphenylacetic Acid - CAS 17283-16-8

Catalog:	BB012855
Product Name:	3,4-Dimethylphenylacetic Acid
CAS:	17283-16-8
Synonyms:	2-(3,4-dimethylphenyl)acetic acid; 2-(3,4-dimethylphenyl)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(3,4-dimethylphenyl)acetic acid
Description:	3,4-Dimethylphenylacetic Acid (CAS# 17283-16-8) is a useful research chemical.
Molecular Weight:	164.20
Molecular Formula:	C10H12O2
Canonical SMILES:	CC1=C(C=C(C=C1)CC(=O)O)C
InChI:	InChI=1S/C10H12O2/c1-7-3-4-9(5-8(7)2)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
InChI Key:	OTTPBKINJOYJGW-UHFFFAOYSA-N
Boiling Point:	297.3 °C at 760 mmHg
Density:	1.098 g/cm³
MDL:	MFCD02664684
LogP:	1.93050

Publication Number	Title	Priority Date
CN-109053630-A	A kind of benzothiazole analog derivative and application thereof	20180822
CN-107488148-A	A kind of hydrocinnamamide insecticides and preparation method thereof	20170626
CN-107417509-A	A kind of preparation method of phenylacetic acid compound	20170524
CN-107417509-B	Preparation method of phenylacetic acid compound	20170524
WO-2017067839-A1	Microbiocidal phenylamidine derivatives	20151023

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.083729621
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	164.083729621
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3