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178167-75-4 | 2H-1-Benzopyran-2-propanoic acid, 3,4-dihydro-6-hydroxy-2,7,8-trimethyl-
CAS No: 178167-75-4 Catalog No: AG0025T9 MDL No:
Product Description
Catalog Number:
AG0025T9
Chemical Name:
2H-1-Benzopyran-2-propanoic acid, 3,4-dihydro-6-hydroxy-2,7,8-trimethyl-
CAS Number:
178167-75-4
Molecular Formula:
C15H20O4
Molecular Weight:
264.3169
IUPAC Name:
3-(6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl)propanoic acid
InChI:
InChI=1S/C15H20O4/c1-9-10(2)14-11(8-12(9)16)4-6-15(3,19-14)7-5-13(17)18/h8,16H,4-7H2,1-3H3,(H,17,18)
InChI Key:
VMJQLPNCUPGMNQ-UHFFFAOYSA-N
SMILES:
OC(=O)CCC1(C)CCc2c(O1)c(C)c(c(c2)O)C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.321g/mol
Monoisotopic Mass:
264.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
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