Metaraminol Impurity 35

CAT: 1299-RM-M201835-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-M201835-01Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1602857-94-2

Synonyms

3- ((1R,2R) -1-hydroxy-2-nitropropyl) phenol

Molecular Formula

C9H11NO4

Molecular Weight

197.19

Target Alternative Name

Metaraminol

Product Name Synonym

3- ((1R,2R) -1-hydroxy-2-nitropropyl) phenol

Chemical Information

Metaraminol Impurity 35

CAS Number	1602857-94-2
PubChem CID	176485441
IUPAC Name	3-[(1R,2R)-1-hydroxy-2-nitropropyl]phenol
Molecular Formula	C9H11NO4
Molecular Weight	197.19
XLogP	0.9
Topological Polar Surface Area	86.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	203

SMILES

C[C@H]([C@@H](C1=CC(=CC=C1)O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H11NO4/c1-6(10(13)14)9(12)7-3-2-4-8(11)5-7/h2-6,9,11-12H,1H3/t6-,9+/m1/s1

InChIKey

YKJVNSQPZQAZHC-MUWHJKNJSA-N

Chemical Structure

2D Structure

CAS: 1602857-94-2

CID: 176485441

Formula: C9H11NO4

MW: 197.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	197.19
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	197.06880783
Monoisotopic Mass	197.06880783
Topological Polar Surface Area	86.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	203
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes