AG003K9R

4547-57-3 | 2-(4-Butoxyphenyl)acetic acid

AG003K9R

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CAS Number	4547-57-3
Catalog Number	AG003K9R(AGN-PC-0JLRA0)
Chemical Name	2-(4-Butoxyphenyl)acetic acid
EC Number	224-904-1
IUPAC Name	2-(4-butoxyphenyl)acetic acid
InChI	InChI=1S/C12H16O3/c1-2-3-8-15-11-6-4-10(5-7-11)9-12(13)14/h4-7H,2-3,8-9H2,1H3,(H,13,14)
InChI Key	KLJMYYFCWBVKEE-UHFFFAOYSA-N
MDL Number	MFCD00016832
Molecular Formula	C12H16O3
Molecular Weight	208.2536
SMILES	O=C(O)CC1=CC=C(OCCCC)C=C1
Synonyms	4547-57-3, 4-Butoxyphenylacetic acid, 4-n-Butoxyphenylacetic acid, 2-(4-butoxyphenyl)acetic acid, Benzeneacetic acid, 4-butoxy-, (4-butoxyphenyl)acetic acid, Acetic acid, (p-butoxyphenyl)-, 4-Butoxybenzeneacetic acid, (p-Butoxyphenyl)acetic acid, (4-Butoxy-phenyl)-acetic acid, p-Butoxyphenylacetic acid, EINECS 224-904-1, BRN 1105534, 4-(n-butoxy)phenylacetic acid, 4-(n-Butoxyphenyl)acetic acid, KLJMYYFCWBVKEE-UHFFFAOYSA-N, MFCD00016832, FR-0122, W-202802, PubChem3115, AC1L2UXU, AC1Q2XI0, Cambridge id 5306907, p - Butoxyphenylacetic acid, p-(Butoxyphenyl)acetic acid, (4-n-Butoxyphenyl)acetic acid, SCHEMBL1285778, 4-(N-Butoxy)phenyl acetic acid, CTK1D6086, DTXSID00196518, HMS1607O11, KUC110102N, KS-000010HX, PAA-0222, ZINC2022916, ZX-BK001676, BBL021194, SBB007692, STK893900, AKOS000210683, ACM4547573, Benzeneacetic acid, 4-butoxy- (9CI), MCULE-3232884876, VZ29467, AJ-32797, CC-20020, KSC-229-64-1, LS-11193, AX8014157, BB0249015, DB-051306, B4742, BB 0249015, FT-0604749, H8294, ST50320086, 4-Butoxyphenylacetic acid, >=98.0% (HPLC), AB00079767-01, 547B573, C-10604, SR-01000388884, I01-8273, SR-01000388884-1, Bufexamac impurity A, EuropePharmacopoeia (EP) Reference Standard, CID78304, C12-H16-O3, 4-10-00-00544 (Beilstein Handbook Reference),

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.11g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	208.257g/mol
Monoisotopic Mass	208.11g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P301+P312+P330-P305+P351+P338
UN Code

Certificate of Analysis

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