Home Other Building Blocks 3-[4-(hydroxymethyl)phenyl]propanoic acid

3-[4-(hydroxymethyl)phenyl]propanoic acid

CAS No.:
56703-34-5
Catalog Number:
AG01BV97
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
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Product Description
Catalog Number:
AG01BV97
Chemical Name:
3-[4-(hydroxymethyl)phenyl]propanoic acid
CAS Number:
56703-34-5
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD20638745
IUPAC Name:
3-[4-(hydroxymethyl)phenyl]propanoic acid
InChI:
InChI=1S/C10H12O3/c11-7-9-3-1-8(2-4-9)5-6-10(12)13/h1-4,11H,5-7H2,(H,12,13)
InChI Key:
CKLYBTLKNBKSIE-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)CCC(=O)O
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties