AG00E9XO

6066-49-5 | 3-N-BUTYLPHTHALIDE

AG00E9XO

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CAS Number	6066-49-5
Catalog Number	AG00E9XO(AGN-PC-0JL4F7)
Chemical Name	3-N-BUTYLPHTHALIDE
EC Number	228-000-8
FEMA Number	3334
IUPAC Name	3-butyl-3H-2-benzofuran-1-one
InChI	InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3
InChI Key	HJXMNVQARNZTEE-UHFFFAOYSA-N
MDL Number	MFCD01704513
Molecular Formula	C12H14O2
Molecular Weight	190.2384
SMILES	O=C1OC(CCCC)C2=C1C=CC=C2
Synonyms	(S)-(-)-3-butylphthalide, 3-n-butylphthalide, butylphthalide, l-NBP cpd, N-butylphthalide, Butylphthalide, 3-n-Butylphthalide, 6066-49-5, 3-BUTYLPHTHALIDE, 3-butylisobenzofuran-1(3H)-one, N-butylphthalide, 3-N-BUTYLPHATHLIDE, Phthalide, 3-butyl-, 1(3H)-Isobenzofuranone, 3-butyl-, 3-Butyl-1(3H)-isobenzofuranone, FEMA No. 3334, CCRIS 7107, EINECS 228-000-8, 3-butyl-3H-isobenzofuran-1-one, 3-butyl-3H-2-benzofuran-1-one, HJXMNVQARNZTEE-UHFFFAOYSA-N, C12H14O2, (S)-3-Butyl-1(3H)-isobenzofuranone, AK114739, Butylphthalide [INN], 3-butyl phthalide, 1(3H)-Isobenzofuranone, 3-butyl-, (R)-, ACMC-20mrif, (+/-)-butylphthalide, AC1L1V2U, SCHEMBL716879, 3-n-Butylphathlide (Natural), CHEMBL248594, CTK2F2561, HY-B0647, AN-078, FCH834798, MFCD01704513, AKOS005362658, CS-3609, DB12749, LS-2606, 3-N-Butylphthalide, >=98% (HPLC), 3-butyl-1,3-dihydro-2-benzofuran-1-one, AX8088426, TL8003845, 4CH-024579, FT-0698673, ST24041991, Y0018, C17854, 066B495, 93133-67-6, forskolin, Colforsin, l-NBP cpd, 3 - butylphthalide, UNII-822Q956KGM, (S)-(-)-3-butylphthalide, 822Q956KGM, CID61361, ACN-057045, C12-H14-O2, C027125, 125412-70-6, NBP,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.099g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	190.242g/mol
Monoisotopic Mass	190.099g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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