AG003MBY

487-11-6 | 5-Allyl-1,2,3-trimethoxybenzene

AG003MBY

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CAS Number	487-11-6
Catalog Number	AG003MBY(AGN-PC-0JK9GU)
Chemical Name	5-Allyl-1,2,3-trimethoxybenzene
EC Number	207-649-0
IUPAC Name	1,2,3-trimethoxy-5-prop-2-enylbenzene
InChI	InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5,7-8H,1,6H2,2-4H3
InChI Key	BPLQKQKXWHCZSS-UHFFFAOYSA-N
MDL Number	MFCD01656688
Molecular Formula	C12H16O3
Molecular Weight	208.2536
NSC Number	16704
SMILES	O(C)c1c(OC)cc(cc1OC)CC=C
UNII	HSZ191AKAN
Synonyms	elemicin, Elemicin, 487-11-6, 5-Allyl-1,2,3-trimethoxybenzene, Elemicine, 3,4,5-Trimethoxyallylbenzene, UNII-HSZ191AKAN, BENZENE, 5-ALLYL-1,2,3-TRIMETHOXY-, Benzene, 1,2,3-trimethoxy-5-(2-propenyl)-, CCRIS 6783, 1,2,3-Trimethoxy-5-(2-propenyl)benzene, EINECS 207-649-0, NSC 16704, HSZ191AKAN, BRN 1912664, 3-(3,4,5-Trimethoxyphenyl)-1-propene, AI3-20815, CHEBI:4771, 1,2,3-trimethoxy-5-(prop-2-en-1-yl)benzene, 4-allyl-1,2,6-trimethoxybenzene, 5-allyl-1,2,3-trimethoxy-benzene, 1,2,3-trimethoxy-5-prop-2-enylbenzene, 1,2,3-Trimethoxy-5-(2-propenyl)-benzene, Benzene, 5-(2-propenyl)-1,2,3-trimethoxy, 5-(Prop-2-en-1-yl)-1,2,3-trimethoxybenzene, Benzene, 1,2,3-trimethoxy-5-(2-propenyl)- (9CI), 1,2,3-Trimethoxy-5-[2-propenyl]-benzene, 5'-metoxy eugenol, AC1L1USQ, 3,5-Trimethoxyallylbenzene, SCHEMBL68542, 4-06-00-07478 (Beilstein Handbook Reference), 3,4, 5-Trimethoxyallylbenzene, CHEMBL458690, CTK4J0963, DTXSID60197586, BPLQKQKXWHCZSS-UHFFFAOYSA-N, 1,2,3-Trimethoxy-5-allylbenzene, ZINC899845, 4-allyl-1,2,6-trimethoxy benzene, KS-00000EX2, NSC16704, ZX-AT003475, AN-843, MFCD01656688, NSC-16704, AKOS015896443, OR40002, PS-4970, RP26424, TRA0018883, AJ-24292, AK116942, CJ-04512, LS-29056, SY018605, ZB015169, 1,2,3-trimethoxy-5-prop-2-enyl-benzene, Benzene,2,3-trimethoxy-5-(2-propenyl)-, AX8052814, DB-081347, TC-307841, 1,2,3-Trimethoxy-5-allylbenzene (elemicin), FT-0652063, ST24044297, V6154, 10005-761a, C10451, K-9190, 1,2,3-Trimethoxy-5-(2-propenyl)benzene, 9CI, Benzene,1,2,3-trimethoxy-5-(2-propen-1-yl)-, MFCD01656688 (97+%), 487A116, A827594, I06-1928, J-520432, Benzene,2,3-trimethoxy-, C12H16O3, CID10248, ACN-057260, C12-H16-O3, 89808-75-3,

Complexity	179
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	0
Isotope Atom Count	0
Molecular Weight	208.257g/mol
Monoisotopic Mass	208.11g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	27.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number