AG002IVV

20716-26-1 | Benzenepropanol, 2-nitro-

AG002IVV

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CAS Number	20716-26-1
Catalog Number	AG002IVV(AGN-PC-00OP49)
Chemical Name	Benzenepropanol, 2-nitro-
IUPAC Name	3-(2-nitrophenyl)propan-1-ol
InChI	InChI=1S/C9H11NO3/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-2,4,6,11H,3,5,7H2
InChI Key	LJHJJGAQQGSPRL-UHFFFAOYSA-N
MDL Number	MFCD09028697
Molecular Formula	C9H11NO3
Molecular Weight	181.1885
SMILES	OCCCC1=C(C=CC=C1)[N+]([O-])=O
Synonyms	3-(2-Nitrophenyl)propan-1-ol, 20716-26-1, Benzenepropanol, 2-nitro-, AK-89982, 2-Nitro-benzenepropanol, 2-Nitrohydrocinnamyl alcohol, 1-(o-nitrophenyl)-3-propanol, SCHEMBL6259352, CTK0J8522, DTXSID80570913, KS-00000QL5, 0608AB, ANW-67098, MFCD09028697, ZINC59103463, AKOS005217811, ACM20716261, DS-16771, 3-(2-NITRO-PHENYL)-PROPAN-1-OL, AJ-113272, AX8237948, TC-155843, 4CH-003632, CS-0060473, ST24041405, C9H11NO3, ACN-048621,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.074g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	181.191g/mol
Monoisotopic Mass	181.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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

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