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123770-84-3 | methyl (2Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate
CAS No: 123770-84-3 Catalog No: AG00J069 MDL No:MFCD01055612
Product Description
Catalog Number:
AG00J069
Chemical Name:
methyl (2Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate
CAS Number:
123770-84-3
Molecular Formula:
C13H10N2O2
Molecular Weight:
226.2307
MDL Number:
MFCD01055612
IUPAC Name:
methyl 2-cyano-3-(1H-indol-3-yl)prop-2-enoate
InChI:
InChI=1S/C13H10N2O2/c1-17-13(16)9(7-14)6-10-8-15-12-5-3-2-4-11(10)12/h2-6,8,15H,1H3
InChI Key:
JRKWEDQGUNBTEE-UHFFFAOYSA-N
SMILES:
N#C/C(=C/c1c[nH]c2c1cccc2)/C(=O)OC
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.235g/mol
Monoisotopic Mass:
226.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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