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121733-80-0 | 2-Propenoic acid, 1-(hydroxymethyl)propyl ester
CAS No: 121733-80-0 Catalog No: AG0015NK MDL No:
Product Description
Catalog Number:
AG0015NK
Chemical Name:
2-Propenoic acid, 1-(hydroxymethyl)propyl ester
CAS Number:
121733-80-0
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
IUPAC Name:
1-hydroxybutan-2-yl prop-2-enoate
InChI:
InChI=1S/C7H12O3/c1-3-6(5-8)10-7(9)4-2/h4,6,8H,2-3,5H2,1H3
InChI Key:
QQIFWCIRQPKKAH-UHFFFAOYSA-N
SMILES:
CCC(OC(=O)C=C)CO
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.17g/mol
Monoisotopic Mass:
144.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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