Home Other Building Blocks 3-[3-(hydroxymethyl)phenyl]prop-2-enoic acid

3-[3-(hydroxymethyl)phenyl]prop-2-enoic acid

CAS No.:
1018674-37-7
Catalog Number:
AG019ZZH
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
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Product Description
Catalog Number:
AG019ZZH
Chemical Name:
3-[3-(hydroxymethyl)phenyl]prop-2-enoic acid
CAS Number:
1018674-37-7
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
MDL Number:
MFCD14687996
IUPAC Name:
3-[3-(hydroxymethyl)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C10H10O3/c11-7-9-3-1-2-8(6-9)4-5-10(12)13/h1-6,11H,7H2,(H,12,13)
InChI Key:
JXEFDGVIAFGYGW-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1)C=CC(=O)O
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.063g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.2  
Properties