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132545-15-4 | Benzoic acid, 3-(3-hydroxy-1-propyn-1-yl)-
CAS No: 132545-15-4 Catalog No: AG0010TH MDL No:MFCD04039089
Product Description
Catalog Number:
AG0010TH
Chemical Name:
Benzoic acid, 3-(3-hydroxy-1-propyn-1-yl)-
CAS Number:
132545-15-4
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
MDL Number:
MFCD04039089
IUPAC Name:
3-(3-hydroxyprop-1-ynyl)benzoic acid
InChI:
InChI=1S/C10H8O3/c11-6-2-4-8-3-1-5-9(7-8)10(12)13/h1,3,5,7,11H,6H2,(H,12,13)
InChI Key:
YNURZLOEFNTCMJ-UHFFFAOYSA-N
SMILES:
OCC#Cc1cccc(c1)C(=O)O
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.171g/mol
Monoisotopic Mass:
176.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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