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1624262-07-2 | Benzoic acid, 3-[(3,4-dihydro-8-methoxy-4-oxo-1-phthalazinyl)methyl]-
CAS No: 1624262-07-2 Catalog No: AG001T5G MDL No:
Product Description
Catalog Number:
AG001T5G
Chemical Name:
Benzoic acid, 3-[(3,4-dihydro-8-methoxy-4-oxo-1-phthalazinyl)methyl]-
CAS Number:
1624262-07-2
Molecular Formula:
C17H14N2O4
Molecular Weight:
310.3041
IUPAC Name:
3-[(8-methoxy-4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid
InChI:
InChI=1S/C17H14N2O4/c1-23-14-7-3-6-12-15(14)13(18-19-16(12)20)9-10-4-2-5-11(8-10)17(21)22/h2-8H,9H2,1H3,(H,19,20)(H,21,22)
InChI Key:
CDASQGSFMNQFLL-UHFFFAOYSA-N
SMILES:
COc1cccc2c1c(n[nH]c2=O)Cc1cccc(c1)C(=O)O
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.095g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.309g/mol
Monoisotopic Mass:
310.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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