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1453484-21-3 | 2-Cyano-3-(1H-indol-3-yl)acrylic acid
CAS No: 1453484-21-3 Catalog No: AG00HXF4 MDL No:MFCD09998251
Product Description
Catalog Number:
AG00HXF4
Chemical Name:
2-Cyano-3-(1H-indol-3-yl)acrylic acid
CAS Number:
1453484-21-3
MDL Number:
MFCD09998251
IUPAC Name:
(Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enoic acid
InChI:
InChI=1S/C12H8N2O2/c13-6-8(12(15)16)5-9-7-14-11-4-2-1-3-10(9)11/h1-5,7,14H,(H,15,16)/b8-5-
InChI Key:
VEXPFUXVCVZRLI-YVMONPNESA-N
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
212.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.208g/mol
Monoisotopic Mass:
212.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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