Home Other Building Blocks (2E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enoic acid

(2E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enoic acid

CAS No.:
893642-98-3
Catalog Number:
AG01BXXE
Molecular Formula:
C10H8O4
Molecular Weight:
192.1681
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Product Description
Catalog Number:
AG01BXXE
Chemical Name:
(2E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enoic acid
CAS Number:
893642-98-3
Molecular Formula:
C10H8O4
Molecular Weight:
192.1681
MDL Number:
MFCD08701713
IUPAC Name:
3-(3-formyl-4-hydroxyphenyl)prop-2-enoic acid
InChI:
InChI=1S/C10H8O4/c11-6-8-5-7(1-3-9(8)12)2-4-10(13)14/h1-6,12H,(H,13,14)
InChI Key:
OIRQJQBTHILALM-UHFFFAOYSA-N
SMILES:
O=Cc1cc(/C=C/C(=O)O)ccc1O
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.042g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
192.17g/mol
Monoisotopic Mass:
192.042g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.5  
Properties