O-Anisidine 98% For Synthesis

CAT: 1278-00276 00500Size: 500 mLDry Ice: NoHazardous: No

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CAT#:1278-00276 00500Size:500 mL

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CAS Number

90-04-0

HS Code

29222990

Packaging Group

Chemical Information

2-Methoxyaniline

o-Anisidine can cause cancer according to an independent committee of scientific and health experts.

CAS Number	90-04-0
PubChem CID	7000
IUPAC Name	2-methoxyaniline
Molecular Formula	C7H9NO
Molecular Weight	123.15
XLogP	1.2
Topological Polar Surface Area	35.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	85

SMILES

COC1=CC=CC=C1N

InChI

InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3

InChIKey

VMPITZXILSNTON-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 90-04-0

CID: 7000

Formula: C7H9NO

MW: 123.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	123.15
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	123.068413911
Monoisotopic Mass	123.068413911
Topological Polar Surface Area	35.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	85
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

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