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Home> Encyclopedia > Hot Product Listed J   > JXNVLFRNSKOUIE-UHFFFAOYSA-N
99072-13-6 structure

JXNVLFRNSKOUIE-UHFFFAOYSA-N

Iupac Name:3-(1H-benzimidazol-2-yl)-3-hydroxypropanoic acid
CAS No.:99072-13-6
Molecular Weight:206.201
Molecular Formula:C10H10N2O3 (isomer)
Names and Identifiers
Synonyms

1h-benzimidazole-2-propanoic acid, beta-hydroxy- 3-(1 h -benzoimidazol-2-yl)-3-hydroxy-propionic acid 3-(1 h-benzoimidazol-2-yl)-3-hydroxy-propionic acid 3-(1h-1,3-benzimidazol-2-yl)-3-hydroxypropanoic acid 3-(1H-1,3-benzodiazol-2-yl)-3-hydroxypropanoic acid 3-(1h-benzimidazol-2-yl)-3-hydroxypropanoic acid 3-(1h-benzimidazol-2-yl)-3-hydroxypropanoic acid, aldrichcpr 3-(1h-benzo[d]imidazol-2-yl)-3-hydroxypropanoic acid 3-(1h-benzoimidazol-2-yl)-3-hydroxy-propionic acid 3-benzimidazol-2-yl-3-hydroxypropanoic acid 3-hydroxypropionic acid, 3-(1h-benzoimidazol-2-yl)- 4667AF 99072-13-6 A2935/0123560 AC1MK2RP AC1Q778S AK409237 AKOS000275493 AKOS016040980 ALBB-028699 BAS 00943081 BB 0219683 BB_SC-6298 BBL011767 BG01516008 CCG-118362 CHEMBL242362 CTK7J1861 EN300-38870 F0852-0154 HMS1423A02 IFLAB1_003874 KB-312048 L-4190 MCULE-7337833117 mfcd00458808 MOLPORT-000-449-409 OPREA1_022023 OPREA1_719183 SBB018073 SDCCGMLS-0065505.P001 sr-01000417988 SR-01000417988-1 ST4080444 STK726985 TR-041001

Inchi
InChI=1S/C10H10N2O3/c13-8(5-9(14)15)10-11-6-3-1-2-4-7(6)12-10/h1-4,8,13H,5H2,(H,11,12)(H,14,15)
InChkey
JXNVLFRNSKOUIE-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C2C(=C1)NC(=N2)C(CC(=O)O)O
Isomers Smiles
C1=CC=C2C(=C1)NC(=N2)C(CC(=O)O)O
Computational chemical data
  • Molecular Weight:206.201g/mol
  • Molecular Formula:C10H10N2O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.4
  • Exact Mass:206.069
  • Monoisotopic Mass:206.069
  • Complexity:247
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
  • Tel:+49 (0) 202 4690049
  • Fax:+49 (0) 202 4690048
  • Tel:(33) 4 70 03 88 55
  • Fax:(33) 4 70 03 82 60
  • Tel:+7 495 780 3410
  • Fax:+7 495 780 3411
  • Tel:732 355 9920 ext. 102
  • Fax:732 355 9921
  • Tel:1 905 634 5212
  • Fax:1 905 634 4719
 
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