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802915-05-5 | 2H-1-Benzopyran-2-carboxylicacid, 3,4-dihydro-6-hydroxy-7,8-dimethyl-
CAS No: 802915-05-5 Catalog No: AG00541P MDL No:
Product Description
Catalog Number:
AG00541P
Chemical Name:
2H-1-Benzopyran-2-carboxylicacid, 3,4-dihydro-6-hydroxy-7,8-dimethyl-
CAS Number:
802915-05-5
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
IUPAC Name:
6-hydroxy-7,8-dimethyl-3,4-dihydro-2H-chromene-2-carboxylic acid
InChI:
InChI=1S/C12H14O4/c1-6-7(2)11-8(5-9(6)13)3-4-10(16-11)12(14)15/h5,10,13H,3-4H2,1-2H3,(H,14,15)
InChI Key:
OKCSVBNMBUHSMQ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCc2c(O1)c(C)c(c(c2)O)C
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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