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4-Amino-2-Methylphenol

CAT: 1299-RG-A260402-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A260402-01Size:10 mg
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CAS Number
2835-96-3
Synonyms
4-amino-2-methylphenol
Molecular Formula
C7H9NO
Molecular Weight
123.16
Product Name Synonym
4-amino-2-methylphenol

Chemical Information

5-Amino-2-hydroxytoluene
CAS Number2835-96-3
PubChem CID76081
IUPAC Name4-amino-2-methylphenol
Molecular FormulaC7H9NO
Molecular Weight123.15
XLogP0.7
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity94
SMILES
CC1=C(C=CC(=C1)N)O
InChI
InChI=1S/C7H9NO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,8H2,1H3
InChIKey
HDGMAACKJSBLMW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Amino-2-hydroxytoluene
CAS: 2835-96-3
CID: 76081
Formula: C7H9NO
MW: 123.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight123.15
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass123.068413911
Monoisotopic Mass123.068413911
Topological Polar Surface Area46.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity94.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes