AG00D1UL

34956-29-1 | 2-(3-Formylphenyl)acetic acid

AG00D1UL

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CAS Number	34956-29-1
Catalog Number	AG00D1UL(AGN-PC-0036PE)
Chemical Name	2-(3-Formylphenyl)acetic acid
IUPAC Name	2-(3-formylphenyl)acetic acid
InChI	InChI=1S/C9H8O3/c10-6-8-3-1-2-7(4-8)5-9(11)12/h1-4,6H,5H2,(H,11,12)
InChI Key	IQAJOXWTCPIEQQ-UHFFFAOYSA-N
MDL Number	MFCD20638515
Molecular Formula	C9H8O3
Molecular Weight	164.1580
SMILES	O=C(O)CC1=CC=CC(C=O)=C1
Synonyms	2-(3-Formylphenyl)acetic acid, 34956-29-1, (3-Formyl-phenyl)-acetic acid, AK148333, (3-formylphenyl)acetic acid, 3-Formylbenzeneacetic acid, 3-formylphenylacetic acid, SCHEMBL2388359, IQAJOXWTCPIEQQ-UHFFFAOYSA-N, MFCD20638515, ZINC34414686, AKOS022188246, CS-W021392, DS-8893, FCH1217927, KS-00000S62, AJ-88427, AX8285688, FT-0737032,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.047g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	164.16g/mol
Monoisotopic Mass	164.047g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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