CAS
93982-02-6 Purity
96%
93982-02-6 Purity
96%
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3,4-Dihydro-5-hydroxy-(1H)-isoquinoline-2-carbaldehyde
CAS
93982-05-9
Catalog Number
ACM93982059
Category
Other Products
Molecular Weight
177.199840 [g/mol]
Molecular Formula
C10H11NO2
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Specification
Synonyms
EINECS 301-194-2, 3,4-Dihydro-5-hydroxy-(1H)-isoquinoline-2-carbaldehyde, 93982-05-9
IUPAC Name
5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
Canonical SMILES
C1CN(CC2=C1C(=CC=C2)O)C=O
InChI Key
REHVPMWAQZHMID-UHFFFAOYSA-N
EC Number
301-194-2
Exact Mass
177.07900
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of 3,4-Dihydro-5-hydroxy-(1H)-isoquinoline-2-carbaldehyde?
The molecular formula is C10H11NO2.
When was this compound created and modified on PubChem?
It was created on December 5, 2007, and modified on December 30, 2023.
What is the IUPAC Name of this compound?
The IUPAC Name is 5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde.
What is the molecular weight of 3,4-Dihydro-5-hydroxy-(1H)-isoquinoline-2-carbaldehyde?
The molecular weight is 177.20 g/mol.
What is the Canonical SMILES representation of this compound?
C1CN(CC2=C1C(=CC=C2)O)C=O
How many hydrogen bond donor counts does this compound have?
It has 1 hydrogen bond donor count.
What is the XLogP3-AA value of this compound?
The XLogP3-AA value is 0.9.
What is the heavy atom count of 3,4-Dihydro-5-hydroxy-(1H)-isoquinoline-2-carbaldehyde?
The heavy atom count is 13.
Is the compound canonicalized?
Yes, the compound is canonicalized.
How many rotatable bond counts does this compound have?
It has 0 rotatable bond counts.
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CAS
93982-03-7 Purity
96%
93982-03-7 Purity
96%
