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386715-45-3 | (2E)-3-(4-OXO-1,2-DIHYDRO-4H-PYRROLO[3,2,1-IJ]QUINOLIN-5-YL)ACRYLICACID
CAS No: 386715-45-3 Catalog No: AG00C8SD MDL No:MFCD01567774
Product Description
Catalog Number:
AG00C8SD
Chemical Name:
(2E)-3-(4-OXO-1,2-DIHYDRO-4H-PYRROLO[3,2,1-IJ]QUINOLIN-5-YL)ACRYLICACID
CAS Number:
386715-45-3
MDL Number:
MFCD01567774
IUPAC Name:
(E)-3-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-10-yl)prop-2-enoic acid
InChI:
InChI=1S/C14H11NO3/c16-12(17)5-4-11-8-10-3-1-2-9-6-7-15(13(9)10)14(11)18/h1-5,8H,6-7H2,(H,16,17)/b5-4+
InChI Key:
LCYDDSSZZRFPCM-SNAWJCMRSA-N
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
241.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.246g/mol
Monoisotopic Mass:
241.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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