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1699-52-1 | 2(1H)-Isoquinolinecarboxaldehyde,3,4-dihydro-
CAS No: 1699-52-1 Catalog No: AG00790E MDL No:
Product Description
Catalog Number:
AG00790E
Chemical Name:
2(1H)-Isoquinolinecarboxaldehyde,3,4-dihydro-
CAS Number:
1699-52-1
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
IUPAC Name:
3,4-dihydro-1H-isoquinoline-2-carbaldehyde
InChI:
InChI=1S/C10H11NO/c12-8-11-6-5-9-3-1-2-4-10(9)7-11/h1-4,8H,5-7H2
InChI Key:
ZEMNVPLWDUWKEG-UHFFFAOYSA-N
SMILES:
O=CN1CCc2c(C1)cccc2
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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