AG003KTP

10385-30-5 | 4-Benzyloxybutyric acid

AG003KTP

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CAS Number	10385-30-5
Catalog Number	AG003KTP(AGN-PC-0JSXGC)
Chemical Name	4-Benzyloxybutyric acid
IUPAC Name	4-phenylmethoxybutanoic acid
InChI	InChI=1S/C11H14O3/c12-11(13)7-4-8-14-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,12,13)
InChI Key	CXEFZVVLTJQWBF-UHFFFAOYSA-N
MDL Number	MFCD01321257
Molecular Formula	C11H14O3
Molecular Weight	194.2271
SMILES	O=C(O)CCCOCC1=CC=CC=C1
Synonyms	4-(Benzyloxy)butanoic acid, 10385-30-5, 4-Benzyloxybutyric acid, Butanoic acid, 4-(phenylmethoxy)-, Butanoic acid,4-(phenylmethoxy)-, CXEFZVVLTJQWBF-UHFFFAOYSA-N, Butyric acid, 4-(benzyloxy)-, ACMC-209wfc, 4-Benzyloxybutanoic Acid, AC1LBPV9, 4-Benzyloxy-butyric acid, 4-(benzyloxy)butyric acid, 4-phenylmethoxybutanoic acid, AC1Q75JF, AC1Q75JG, SCHEMBL291194, 4-(Benzyloxy)butanoic acid #, 4-Benzyloxybutyric acid, 95%, CTK4A2431, DTXSID30340163, KS-000025YF, ZINC2379627, ANW-46294, MFCD01321257, AKOS000187756, CS-W022004, GS-3789, MCULE-3020556599, RP03960, AJ-34622, SC-70181, AB0034511, ST2417998, TC-135039, X8674, EN300-60882, M-8601, W-204511, I14-38304, Z969563990, 4-(Benzyloxy)butanoicacid, C11H14O3, CID562201,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.094g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	194.23g/mol
Monoisotopic Mass	194.094g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3265

Certificate of Analysis

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