(3,6-Dimethoxy-2-nitrophenyl) methanol

CAT: 0926-YFB86981-01Size: 5000 mgDry Ice: NoHazardous: No

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CAT#:0926-YFB86981-01Size:5000 mg

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CAS Number

773869-81-1

MDL Number

MFCD06202875

Smiles

COC1=C (C (=C (C=C1) OC) [N+] (=O) [O-]) CO

Molecular Formula

C9H11NO5

Molecular Weight

213.19 g/mol

Controlled

Chemical Information

(3,6-Dimethoxy-2-nitrophenyl)methanol

CAS Number	773869-81-1
PubChem CID	75176192
IUPAC Name	(3,6-dimethoxy-2-nitrophenyl)methanol
Molecular Formula	C9H11NO5
Molecular Weight	213.19
XLogP	0.8
Topological Polar Surface Area	84.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	217

SMILES

COC1=C(C(=C(C=C1)OC)[N+](=O)[O-])CO

InChI

InChI=1S/C9H11NO5/c1-14-7-3-4-8(15-2)9(10(12)13)6(7)5-11/h3-4,11H,5H2,1-2H3

InChIKey

VWGITNTZWHALGM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 773869-81-1

CID: 75176192

Formula: C9H11NO5

MW: 213.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	213.19
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	213.06372245
Monoisotopic Mass	213.06372245
Topological Polar Surface Area	84.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	217
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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DCA05504	(3-Methoxy-2-nitrophenyl) methanol
TDA42722-01	2- (3,5-Dimethoxy-2-nitrophenyl) acetonitrile
SAC95221-01	(3,5-Dichloro-2-nitrophenyl) methanol
DAA88244-01	(2-Nitrophenyl) (pyridin-3-yl) methanol
MRD28038-01	{2,2-Dimethoxy-6-oxaspiro[3.4]octan-7-yl}methanol
EFC35137-01	(3-Amino-5-fluoro-2-nitrophenyl) methanol
FC53475	(2-Chloro-4-nitrophenyl) methanol
AGA02233-01	(5-Iodo-2-nitrophenyl) methanol

Catalog	Name
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416226-01	(2-Bromo-6-nitrophenyl) methanol
OR950008-01	(2-Methyl-6-nitrophenyl) methanol
OR1074311-01	(6-Bromo-2,4-dimethoxy-3-methylphenyl) methanol
RG-N092002-01	(2-Nitrophenyl) Methanol
RG-A262867-01	(3-Nitrophenyl) Methanol
OR79692-01	(2-Amino-3-nitrophenyl) methanol
OR1026653-01	(2-Nitrophenyl) (Phenyl) Methanol