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75151-39-2 | 2-Propenoic acid, 3-hydroxy-3-methoxy-, methyl ester
CAS No: 75151-39-2 Catalog No: AG005E2Y MDL No:
Product Description
Catalog Number:
AG005E2Y
Chemical Name:
2-Propenoic acid, 3-hydroxy-3-methoxy-, methyl ester
CAS Number:
75151-39-2
Molecular Formula:
C5H8O4
Molecular Weight:
132.1146
IUPAC Name:
methyl 3-hydroxy-3-methoxyprop-2-enoate
InChI:
InChI=1S/C5H8O4/c1-8-4(6)3-5(7)9-2/h3,6H,1-2H3
InChI Key:
BYYYYPBUMVENKB-UHFFFAOYSA-N
SMILES:
COC(=CC(=O)OC)O
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.042g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
132.115g/mol
Monoisotopic Mass:
132.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.7
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