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142160-68-7 | 3-Butenoic acid, 4-methoxy-
CAS No: 142160-68-7 Catalog No: AG001HVQ MDL No:
Product Description
Catalog Number:
AG001HVQ
Chemical Name:
3-Butenoic acid, 4-methoxy-
CAS Number:
142160-68-7
Molecular Formula:
C5H8O3
Molecular Weight:
116.1152
IUPAC Name:
4-methoxybut-3-enoic acid
InChI:
InChI=1S/C5H8O3/c1-8-4-2-3-5(6)7/h2,4H,3H2,1H3,(H,6,7)
InChI Key:
LBCCFAQUFDEKMN-UHFFFAOYSA-N
SMILES:
COC=CCC(=O)O
Properties
Complexity:
95.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.047g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
116.116g/mol
Monoisotopic Mass:
116.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.2
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