P-Nitrocinnamyl Alcohol 97%

CAT: 0286-N08315Size: 1 gDry Ice: NoHazardous: No

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CAT#:0286-N08315Size:1 g

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CAS Number

1504-63-8

Pictogram

07 - Irritant

UDF Signal Word

Warning

MDL Number

MFCD00017045

Hazard Statement

H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.

DOT Name

Not D.O.T.-Regulated

Precautions

P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

2-Propen-1-ol, 3-(4-nitrophenyl)-

CAS Number	1504-63-8
PubChem CID	5462894
IUPAC Name	(E)-3-(4-nitrophenyl)prop-2-en-1-ol
Molecular Formula	C9H9NO3
Molecular Weight	179.17
XLogP	1.8
Topological Polar Surface Area	66.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	190

SMILES

C1=CC(=CC=C1/C=C/CO)[N+](=O)[O-]

InChI

InChI=1S/C9H9NO3/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h1-6,11H,7H2/b2-1+

InChIKey

LGXXEDSIJZHDBN-OWOJBTEDSA-N

Chemical Structure

2D Structure

CAS: 1504-63-8

CID: 5462894

Formula: C9H9NO3

MW: 179.17

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	179.17
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	179.058243149
Monoisotopic Mass	179.058243149
Topological Polar Surface Area	66.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	190
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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P-Nitrocinnamyl Alcohol 97%

Chemical Information

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