AG00ASN6

17082-05-2 | 1-nitroprop-1-ene

AG00ASN6

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CAS Number	17082-05-2
Catalog Number	AG00ASN6(AGN-PC-0O4TX8)
Chemical Name	1-nitroprop-1-ene
IUPAC Name	(E)-1-nitroprop-1-ene
InChI	InChI=1S/C3H5NO2/c1-2-3-4(5)6/h2-3H,1H3/b3-2+
InChI Key	RIHXMHKNTLBIPJ-NSCUHMNNSA-N
MDL Number	MFCD01696312
Molecular Formula	C3H5NO2
Molecular Weight	87.0773
SMILES	CC=C[N+]([O-])=O
Synonyms	1-Nitropropene, 1-Nitropropylene, 1-nitroprop-1-ene, PROPENE, 1-NITRO-, 17082-05-2, 1-NITRO-1-PROPENE, (1E)-1-nitroprop-1-ene, TL 1146, trans-1-Nitro-1-propene, 3156-70-5, (E)-1-nitroprop-1-ene, (E)-1-Nitro-1-propene, BRN 0506160, 1-propene, 1-nitro-, (1E)-, 1-Propene, 1-nitro-, AC1LCV8Z, CH3CH=CHNO2, 3-01-00-00715 (Beilstein Handbook Reference), (1E)-1-Nitro-1-propene #, 1-Propene, 1-nitro- (9CI), RIHXMHKNTLBIPJ-NSCUHMNNSA-N, ZINC21304285, AKOS006279012, NE11928, SC-65946, LS-123516, TL80073676, InChI=1/C3H5NO2/c1-2-3-4(5)6/h2-3H,1H3/b3-2, -1-nitroprop-1-ene, 1-Propene,1-nitro-,(1E)-, C3-H5-N-O2, CID637919,

Complexity	71.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	87.032g/mol
Formal Charge	0
Heavy Atom Count	6
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	87.078g/mol
Monoisotopic Mass	87.032g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226
Packing Group	Ⅲ
Precautionary statements	P210-P403+P235
UN Code	UN 1993

Certificate of Analysis

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