Cas no 63953-75-3 (2H-1-Benzopyran-6-carboxylicacid, 5-hydroxy-2,7-dimethyl-2-(4-methyl-3-pentenyl)- (9CI))

2H-1-Benzopyran-6-carboxylicacid, 5-hydroxy-2,7-dimethyl-2-(4-methyl-3-pentenyl)- (9CI) structure
63953-75-3 structure
Product Name:2H-1-Benzopyran-6-carboxylicacid, 5-hydroxy-2,7-dimethyl-2-(4-methyl-3-pentenyl)- (9CI)
CAS No:63953-75-3
MF:C18H22O4
MW:302.364885807037
CID:510037
PubChem ID:174011
Update Time:2025-04-19

2H-1-Benzopyran-6-carboxylicacid, 5-hydroxy-2,7-dimethyl-2-(4-methyl-3-pentenyl)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 2H-1-Benzopyran-6-carboxylicacid, 5-hydroxy-2,7-dimethyl-2-(4-methyl-3-pentenyl)- (9CI)
    • 2H-1-Benzopyran-6-carboxylic acid, 5-hydroxy-2,7-dimethyl-2-(4-methyl-3-pentenyl)-
    • 5-hydroxy-2,7-dimethyl-2-(4-methylpent-3-enyl)chromene-6-carboxylic acid
    • Cannabiorcichromenic acid
    • DTXSID70981332
    • 5-Hydroxy-2,7-dimethyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran-6-carboxylic acid
    • SCHEMBL21426166
    • 5-Hydroxy-2,7-dimethyl-2-(4-methylpent-3-en-1-yl)-2H-1-benzopyran-6-carboxylic acid
    • 63953-75-3
    • Inchi： 1S/C18H22O4/c1-11(2)6-5-8-18(4)9-7-13-14(22-18)10-12(3)15(16(13)19)17(20)21/h6-7,9-10,19H,5,8H2,1-4H3,(H,20,21)
    • InChI Key： LQUGIUKHQGEKIC-UHFFFAOYSA-N
    • SMILES： O1C2C=C(C)C(C(=O)O)=C(C=2C=CC1(C)CC/C=C(\C)/C)O

Computed Properties

  • Exact Mass: 302.15186
  • Monoisotopic Mass: 302.15180918g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 478
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.9
  • Topological Polar Surface Area: 66.8?2

Experimental Properties

  • PSA: 66.76

2H-1-Benzopyran-6-carboxylicacid, 5-hydroxy-2,7-dimethyl-2-(4-methyl-3-pentenyl)- (9CI) Related Literature

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63953-75-3 (2H-1-Benzopyran-6-carboxylicacid, 5-hydroxy-2,7-dimethyl-2-(4-methyl-3-pentenyl)- (9CI)) Related Products

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