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126058-00-2 | 2-Propenoic acid, 2-cyano-3-(3-methoxyphenyl)-
CAS No: 126058-00-2 Catalog No: AG000QUZ MDL No:MFCD04612082
Product Description
Catalog Number:
AG000QUZ
Chemical Name:
2-Propenoic acid, 2-cyano-3-(3-methoxyphenyl)-
CAS Number:
126058-00-2
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
MDL Number:
MFCD04612082
IUPAC Name:
2-cyano-3-(3-methoxyphenyl)prop-2-enoic acid
InChI:
InChI=1S/C11H9NO3/c1-15-10-4-2-3-8(6-10)5-9(7-12)11(13)14/h2-6H,1H3,(H,13,14)
InChI Key:
IMEFWVUNBYJXKG-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1cccc(c1)OC)C(=O)O
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.197g/mol
Monoisotopic Mass:
203.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.4
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