AG002GXM

1885-38-7 | (E)-Cinnamonitrile

AG002GXM

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CAS Number	1885-38-7
Catalog Number	AG002GXM(AGN-PC-0O5SL6)
Chemical Name	(E)-Cinnamonitrile
IUPAC Name	(E)-3-phenylprop-2-enenitrile
InChI	InChI=1S/C9H7N/c10-8-4-7-9-5-2-1-3-6-9/h1-7H/b7-4+
InChI Key	ZWKNLRXFUTWSOY-QPJJXVBHSA-N
MDL Number	MFCD00001930
Molecular Formula	C9H7N
Molecular Weight	129.1586
SMILES	C1(=CC=CC=C1)/C=C/C#N
UNII	H475UV3WWH
Synonyms	cinnamonitrile, cinnamonitrile, (E)-isomer, cinnamonitrile, (Z)-isomer, Cinnamonitrile, 1885-38-7, trans-Cinnamonitrile, 3-Phenylacrylonitrile, 4360-47-8, Styryl cyanide, Cinnamyl nitrile, beta-Cyanostyrene, Cinnamonitrile, (E)-, 3-Phenyl-2-propenenitrile, Cinnamalva, Acrylonitrile, 3-phenyl-, (E)-3-Phenylprop-2-enenitrile, 2-Propenenitrile, 3-phenyl-, (2E)-, 3-phenyl-acrylonitrile, beta-Phenylacrylonitrile, 1-cyano-2-phenylethene, (2E)-3-phenylprop-2-enenitrile, 1-Cyano-2-phenylethylene, 3-phenylprop-2-enenitrile, UNII-H475UV3WWH, (E)-3-Phenylacrylonitrile, 2-Propenenitrile, 3-phenyl-, (E)-, (E)-Cinnamonitrile, 2-Propenenitrile, 3-phenyl-, trans-3-Phenyl-2-propenenitrile, EINECS 224-441-5, MFCD00001930, NSC 42118, NSC 49137, NSC 77496, trans-3-Phenylpropenonitrile, BRN 1209545, H475UV3WWH, AI3-28397, trans-.beta.-Phenylacrylonitrile, .beta.-Cyanostyrene, WLN: NC1U1R, cyanostyrene, Cinnamonitrile, 97%, predominantly trans, Cinnamonitrilee, trans-beta-Phenylacrylonitrile, EINECS 217-552-5, Cinnamonitrile, 97%, PubChem20433, AC1Q4QXX, (E)3-Phenylacrylonitrile, Cinnamonitrile pred. trans, 2-Propenenitrile, (E)-, trans-3-Phenylacrylonitrile, AC1LT42E, AC1Q4Q6E, (E)-3-Phenylpropenenitrile, DSSTox_CID_24385, DSSTox_GSID_44385, SCHEMBL23599, 0-09-00-00589 (Beilstein Handbook Reference), (E)-3-phenyl-2-propenenitrile, CHEMBL2387747, DTXSID8044385, ZWKNLRXFUTWSOY-QPJJXVBHSA-, ZWKNLRXFUTWSOY-QPJJXVBHSA-N, CINNAMONITRILE, CIS + TRANS, NSC42118, NSC49137, NSC77496, ZINC1675000, Tox21_303789, (2E)-3-Phenyl-2-propenenitrile #, NSC-42118, NSC-49137, NSC-77496, SBB060940, 2-Propenenitrile,3-phenyl-, (2E)-, AKOS000304447, EBD2761132, NE10131, RP17309, RTR-008728, NCGC00357077-01, AJ-29376, AN-20296, AN-22207, BC225038, CJ-06182, CJ-27320, DS-10164, SC-57899, CAS-1885-38-7, LS-123512, TC-308789, TR-008728, ST24030255, ST50411959, EN300-25436, 885C387, A813237, I01-3345, J-012148, J-520051, F0001-0677, I14-101242, InChI=1/C9H7N/c10-8-4-7-9-5-2-1-3-6-9/h1-7H/b7-4+, C9H7N, Cinnamonitrile,cis + trans, C9-H7-N, Cinnamonitrile (isomer unspecified), c0361, CID1550846, Cinnamonitrile, 97% - 100G 100g, 626-39-1, 7520-75-4,

Complexity	155
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	129.058g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	129.162g/mol
Monoisotopic Mass	129.058g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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