Metaraminol Impurity 72

CAT: 1299-RM-M201872-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M201872-01Size:10 mg

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CAS Number

871875-57-9

Synonyms

2- (hydroxyimino) -1- (3-hydroxyphenyl) propan-1-one

Molecular Formula

C9H9NO3

Molecular Weight

179.18

Target Alternative Name

Metaraminol

Product Name Synonym

2- (hydroxyimino) -1- (3-hydroxyphenyl) propan-1-one

Chemical Information

1-(3-Hydroxyphenyl)-1,2-propanedione 2-Oxime

CAS Number	871875-57-9
PubChem CID	133677327
IUPAC Name	(2E)-2-hydroxyimino-1-(3-hydroxyphenyl)propan-1-one
Molecular Formula	C9H9NO3
Molecular Weight	179.17
XLogP	1.7
Topological Polar Surface Area	69.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	225

SMILES

C/C(=N\O)/C(=O)C1=CC(=CC=C1)O

InChI

InChI=1S/C9H9NO3/c1-6(10-13)9(12)7-3-2-4-8(11)5-7/h2-5,11,13H,1H3/b10-6+

InChIKey

PSKCSDOXABZRQX-UXBLZVDNSA-N

Chemical Structure

2D Structure

CAS: 871875-57-9

CID: 133677327

Formula: C9H9NO3

MW: 179.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	179.17
XLogP3	1.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	179.058243149
Monoisotopic Mass	179.058243149
Topological Polar Surface Area	69.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	225
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