Home Other Building Blocks 3-FORMYLPHENOXYACETIC ACID

3-FORMYLPHENOXYACETIC ACID

CAS No.:
37748-09-7
Catalog Number:
AG00BZ0E
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
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Product Description
Catalog Number:
AG00BZ0E
Chemical Name:
3-FORMYLPHENOXYACETIC ACID
CAS Number:
37748-09-7
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
MDL Number:
MFCD00016605
IUPAC Name:
2-(3-formylphenoxy)acetic acid
InChI:
InChI=1S/C9H8O4/c10-5-7-2-1-3-8(4-7)13-6-9(11)12/h1-5H,6H2,(H,11,12)
InChI Key:
KHBBQMHTRDEPCR-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)OCC(=O)O
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.042g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.159g/mol
Monoisotopic Mass:
180.042g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties