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123530-66-5 | 2-Propenoic acid, 3-pyrazinyl-, (E)- (9CI)
CAS No: 123530-66-5 Catalog No: AG000KQ4 MDL No:MFCD12197060
Product Description
Catalog Number:
AG000KQ4
Chemical Name:
2-Propenoic acid, 3-pyrazinyl-, (E)- (9CI)
CAS Number:
123530-66-5
Molecular Formula:
C7H6N2O2
Molecular Weight:
150.1347
MDL Number:
MFCD12197060
IUPAC Name:
(E)-3-pyrazin-2-ylprop-2-enoic acid
InChI:
InChI=1S/C7H6N2O2/c10-7(11)2-1-6-5-8-3-4-9-6/h1-5H,(H,10,11)/b2-1+
InChI Key:
FQBJLSSHYOOFSG-OWOJBTEDSA-N
SMILES:
OC(=O)/C=C/c1cnccn1
NSC Number:
202634
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
150.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.137g/mol
Monoisotopic Mass:
150.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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