Home Other Building Blocks 2-(4-hydroxy-3,4-dihydro-2H-1-benzopyran-4-yl)acetic acid

2-(4-hydroxy-3,4-dihydro-2H-1-benzopyran-4-yl)acetic acid

CAS No.:
1251316-47-8
Catalog Number:
AG01C2L2
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
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Product Description
Catalog Number:
AG01C2L2
Chemical Name:
2-(4-hydroxy-3,4-dihydro-2H-1-benzopyran-4-yl)acetic acid
CAS Number:
1251316-47-8
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
MDL Number:
MFCD16749074
IUPAC Name:
2-(4-hydroxy-2,3-dihydrochromen-4-yl)acetic acid
InChI:
InChI=1S/C11H12O4/c12-10(13)7-11(14)5-6-15-9-4-2-1-3-8(9)11/h1-4,14H,5-7H2,(H,12,13)
InChI Key:
ZFTBXFHLSSELGM-UHFFFAOYSA-N
SMILES:
OC(=O)CC1(O)CCOc2c1cccc2
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties