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945029-05-0 | 3-(1H-Pyrrolo[2,3-b]pyridin-5-yl)-acrylic acidmethyl ester
CAS No: 945029-05-0 Catalog No: AG00IIB3 MDL No:MFCD09260185
Product Description
Catalog Number:
AG00IIB3
Chemical Name:
3-(1H-Pyrrolo[2,3-b]pyridin-5-yl)-acrylic acidmethyl ester
CAS Number:
945029-05-0
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD09260185
IUPAC Name:
methyl (E)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enoate
InChI:
InChI=1S/C11H10N2O2/c1-15-10(14)3-2-8-6-9-4-5-12-11(9)13-7-8/h2-7H,1H3,(H,12,13)/b3-2+
InChI Key:
SWDITGRTPKJPDC-NSCUHMNNSA-N
SMILES:
COC(=O)/C=C/c1cnc2c(c1)cc[nH]2
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
202.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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