AG001YVL

1734-79-8 | 3-(4-Nitrophenyl);acrylaldehyde

AG001YVL

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CAS Number	1734-79-8
Catalog Number	AG001YVL(AGN-PC-04VXSB)
Chemical Name	3-(4-Nitrophenyl);acrylaldehyde
EC Number	217-076-8
IUPAC Name	(E)-3-(4-nitrophenyl)prop-2-enal
InChI	InChI=1S/C9H7NO3/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h1-7H/b2-1+
InChI Key	ALGQVMMYDWQDEC-OWOJBTEDSA-N
MDL Number	MFCD00007379
Molecular Formula	C9H7NO3
Molecular Weight	177.1568
NSC Number	1318
SMILES	O=C/C=C/C1=CC=C([N+]([O-])=O)C=C1
UNII	48R8LAM7YX
Synonyms	4-nitrocinnamaldehyde, 4-nitrocinnamaldehyde, (E)-isomer, p-nitrocinnamaldehyde, 4-Nitrocinnamaldehyde, 1734-79-8, 3-(4-nitrophenyl)acrylaldehyde, p-Nitrocinnamaldehyde, 49678-08-2, (E)-3-(4-nitrophenyl)acrylaldehyde, trans-4-Nitrocinnamaldehyde, 2-Propenal, 3-(4-nitrophenyl)-, CINNAMALDEHYDE, p-NITRO-, 3-(4-Nitrophenyl)-2-propenal, UNII-48R8LAM7YX, (2E)-3-(4-nitrophenyl)prop-2-enal, CCRIS 3774, NSC 1318, EINECS 217-076-8, 3-(4-NITRO-PHENYL)-PROPENAL, BRN 1565424, 48R8LAM7YX, 3-(4-nitrophenyl)prop-2-enal, ALGQVMMYDWQDEC-OWOJBTEDSA-N, (E)-3-(4-nitrophenyl)prop-2-enal, MFCD00007379, p-NO2-cinnamaldehyde, AK113626, p-nitro-cinnamaldehyd, PubChem18135, AC1NS4ZE, 4-Nitrobenzeneacrylaldehyde, (E)-4-Nitrocinnamaldehyde, WLN: WNR D1U1VH, 0-07-00-00358 (Beilstein Handbook Reference), SCHEMBL565867, AC1Q1Z01, AMBZ0116, DTXSID7061932, NSC1318, NSC-1318, ZINC1591841, BBL023104, CN-016, SBB071702, STK045749, (E)-3-(4-nitrophenyl)-acrylaldehyde, AKOS005384588, EBD1914765, FCH1117962, FCH4626819, RTR-007678, NCGC00341285-01, AJ-27706, AN-49793, BBV-41802186, BC201017, CC-20115, CJ-05602, CJ-25468, LS-53835, AX8099470, AX8099471, TR-007678, N0541, ST24041496, ST45026844, T7464, TL80073696, Z3591, 4-Nitrocinnamaldehyde, predominantly trans, 98%, AB01332726-02, I01-8351, J-010912, I14-49410, trans-4-Nitrocinnamaldehyde, technical, >=97.0% (T), InChI=1/C9H7NO3/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h1-7H/b2-1, C9H7NO3, C9-H7-N-O3, CID5354135, trans-4-Nitrocinnamaldehyde, 98% - 1G 1g,

Complexity	211
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	177.043g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	177.159g/mol
Monoisotopic Mass	177.043g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	62.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number