AG001MLQ

1504-74-1 | 2-Propenal, 3-(2-methoxyphenyl)-

AG001MLQ

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CAS Number	1504-74-1
Catalog Number	AG001MLQ(AGN-PC-04VXR4)
Chemical Name	2-Propenal, 3-(2-methoxyphenyl)-
EC Number	216-131-3
FEMA Number	3181
IUPAC Name	(E)-3-(2-methoxyphenyl)prop-2-enal
InChI	InChI=1S/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3/b6-4+
InChI Key	KKVZAVRSVHUSPL-GQCTYLIASA-N
MDL Number	MFCD00007001
Molecular Formula	C10H10O2
Molecular Weight	162.1852
SMILES	O=C/C=C/C1=CC=CC=C1OC
UNII	3GG2B2MUHB
Synonyms	2-methoxycinnamaldehyde, o-methoxycinnamaldehyde, 2-Methoxycinnamaldehyde, 1504-74-1, O-METHOXYCINNAMALDEHYDE, 3-(2-Methoxyphenyl)acrylaldehyde, o-Methoxycinnamic aldehyde, (E)-3-(2-Methoxyphenyl)acrylaldehyde, Cinnamaldehyde, o-methoxy-, 60125-24-8, 2-Propenal, 3-(2-methoxyphenyl)-, o-Methoxy cinnamaldehyde, beta-(o-Methoxyphenyl)acrolein, 2'-Methoxycinnamaldehyde, (2E)-3-(2-Methoxyphenyl)Prop-2-Enal, 3-O-Methoxyphenyl-2-propenal, Cassiastearoptene, o-Methoxycinnamicaldehyde crystals, 3-(2-Methoxyphenyl)-2-propenal, UNII-3GG2B2MUHB, 2-Methoxycinnamic aldehyde, trans-2-Methoxycinnamaldehyde, FEMA No. 3181, CCRIS 3196, O-Methoxyphenyl acrolein, beta-, o-Methoxycinnamaldehyde (natural), 2-Methoxy Cinnamaldehyde, Methoxycinnamaldehyde, o-, EINECS 216-131-3, 3GG2B2MUHB, Ortho-Methoxycinnamaldehyde, NSC 114599, (2E)-3-(2-methoxyphenyl)acrylaldehyde, BRN 2436856, CHEMBL83159, Ortho methoxy cinnamic aldehyde, KKVZAVRSVHUSPL-GQCTYLIASA-N, MFCD00007001, (E)-3-(2-methoxyphenyl)prop-2-enal, 2-Methoxycinnamaldehyde, predominantly trans, DSSTox_CID_5551, (E)-2-methoxycinnamaldehyde, .beta.-(o-Methoxyphenyl)acrolein, O-Methoxycinnamaldehyde, (E)-, O-Methoxy-Cinnamaldehyde, AC1LD2JS, O-Methoxy-Cinnamicaldehyde, AC1Q44KA, 2-Methoxybenzeneacrylaldehyde, DSSTox_RID_77826, DSSTox_RID_82200, DSSTox_GSID_25551, DSSTox_GSID_47206, beta-O-Methoxyphenyl acrolein, 2-08-00-00149 (Beilstein Handbook Reference), AMBZ0228, beta -(O-methoxyphenyl)acrolein, DTXSID4047206, 3-(o-Methoxyphenyl)-2-propenal, FEMA 3181, ZINC1704608, Tox21_202885, Tox21_303635, 3-(2-Methoxyphenyl)-2-propenal #, BDBM50240642, LS-879, SBB040240, (E)-3-(2-Methoxy-phenyl)-propenal, AKOS000120956, o-Methoxycinnamaldehyde, >=96%, FG, (E)-3-(2-methoxyphenyl)-2-propenal, RP17388, (2E)-3-(2-Methoxyphenyl)-2-propenal, 3-(2-Methoxyphenyl)-(2E)-2-propenal, NCGC00256699-01, NCGC00260431-01, AJ-30585, AS-15726, BR-72967, CJ-06719, Q446, CAS-1504-74-1, CAS-60125-24-8, RT-003590, ST2410344, TL8001097, 2-Methoxycinnamaldehyde, natural, 98%, FG, ST50213399, 2-propenal, 3-(2-methoxyphenyl)-, (2E)-, PK04_181244, M-7606, 2-Methoxycinnamaldehyde, predominantly trans, 96%, A809049, I01-6312, W-108075, BRD-K20078988-001-01-1, UNII-4940G3R6HE component KKVZAVRSVHUSPL-GQCTYLIASA-N, InChI=1/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3/b6-4, 2' - methoxycinnamaldehyde, UNII-4940G3R6HE, 3-(2-methoxyphenyl)prop-2-enal, C10H10O2, 4940G3R6HE, CID641298, C10-H10-O2, C017910,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	162.068g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	162.188g/mol
Monoisotopic Mass	162.068g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number