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34023-76-2 | (2E)-2-[(E)-benzoyl]-3-(1H-indol-3-yl)prop-2-enenitrile
CAS No: 34023-76-2 Catalog No: AG00J072 MDL No:MFCD00245513
Product Description
Catalog Number:
AG00J072
Chemical Name:
(2E)-2-[(E)-benzoyl]-3-(1H-indol-3-yl)prop-2-enenitrile
CAS Number:
34023-76-2
Molecular Formula:
C18H12N2O
Molecular Weight:
272.3007
MDL Number:
MFCD00245513
IUPAC Name:
(E)-2-benzoyl-3-(1H-indol-3-yl)prop-2-enenitrile
InChI:
InChI=1S/C18H12N2O/c19-11-14(18(21)13-6-2-1-3-7-13)10-15-12-20-17-9-5-4-8-16(15)17/h1-10,12,20H/b14-10+
InChI Key:
SBVGJXFYLSNMAI-GXDHUFHOSA-N
SMILES:
N#C/C(=C\c1c[nH]c2c1cccc2)/C(=O)c1ccccc1
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
272.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.307g/mol
Monoisotopic Mass:
272.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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