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146471-52-5 | 2H-1-Benzopyran-4-ol, 4-(aminomethyl)-3,4-dihydro-
CAS No: 146471-52-5 Catalog No: AG001E2E MDL No:MFCD11577339
Product Description
Catalog Number:
AG001E2E
Chemical Name:
2H-1-Benzopyran-4-ol, 4-(aminomethyl)-3,4-dihydro-
CAS Number:
146471-52-5
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD11577339
IUPAC Name:
4-(aminomethyl)-2,3-dihydrochromen-4-ol
InChI:
InChI=1S/C10H13NO2/c11-7-10(12)5-6-13-9-4-2-1-3-8(9)10/h1-4,12H,5-7,11H2
InChI Key:
LJIMCZDPGHYLKP-UHFFFAOYSA-N
SMILES:
NCC1(O)CCOc2c1cccc2
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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