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15731-80-3 | 2-Propenoic acid, hydroxymethyl ester
CAS No: 15731-80-3 Catalog No: AG001PE0 MDL No:
Product Description
Catalog Number:
AG001PE0
Chemical Name:
2-Propenoic acid, hydroxymethyl ester
CAS Number:
15731-80-3
Molecular Formula:
C4H6O3
Molecular Weight:
102.0886
IUPAC Name:
hydroxymethyl prop-2-enoate
InChI:
InChI=1S/C4H6O3/c1-2-4(6)7-3-5/h2,5H,1,3H2
InChI Key:
GJIDOLBZYSCZRX-UHFFFAOYSA-N
SMILES:
OCOC(=O)C=C
Properties
Complexity:
77
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
102.032g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
102.089g/mol
Monoisotopic Mass:
102.032g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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