AG002V6H

29006-02-8 | Butanoic acid, 4-methoxy-

AG002V6H

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CAS Number	29006-02-8
Catalog Number	AG002V6H(AGN-PC-0D6JPI)
Chemical Name	Butanoic acid, 4-methoxy-
EC Number	249-366-5
IUPAC Name	4-methoxybutanoic acid
InChI	InChI=1S/C5H10O3/c1-8-4-2-3-5(6)7/h2-4H2,1H3,(H,6,7)
InChI Key	VRRCYIFZBSJBAT-UHFFFAOYSA-N
MDL Number	MFCD00029855
Molecular Formula	C5H10O3
Molecular Weight	118.1311
SMILES	COCCCC(=O)O
Synonyms	4-Methoxybutanoic acid, 29006-02-8, 4-Methoxybutyric acid, Butanoic acid, 4-methoxy-, VRRCYIFZBSJBAT-UHFFFAOYSA-N, Butyric acid, 4-methoxy-, EINECS 249-366-5, 4-Methoxy-butyric acid, AC1L3NRD, AC1Q4FNC, AC1Q5WCU, 4-Methoxybutanoic acid #, Butanoic acid, 4-methoxy, Butanoic acid,4-methoxy-, 4-(methyloxy)butanoic acid, SCHEMBL82451, CTK4G2557, KS-00000PIT, DTXSID70183218, ZINC5997802, ANW-71736, MFCD00029855, AKOS000190525, CS-W001021, MCULE-3165881573, NE23898, AJ-55444, BS-12840, DA-16849, SC-51378, SY045907, ST2405866, TC-160481, 4CH-017220, FT-0703853, EN300-43031, MFCD00029855 (95%), J-017352, Z818727246, 4-methoxybutyricacid, 4-Methoxy-butyric acid - 1G 1g, CID92264, AR-1G3170, C5-H10-O3, 2984-68-1,

Complexity	70.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	118.063g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	118.132g/mol
Monoisotopic Mass	118.063g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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